# Medicinal Chemistry Toolkit

> Portable suite of medicinal chemistry calculation tools for professionals. (iPhone/iPad app by Molecular Materials Informatics, Inc..)

- Source: https://appshunter.io/ios/app/medicinal-chemistry-toolkit/id910073742 (this page in markdown: same URL + `.md`)
- Developer: [Molecular Materials Informatics, Inc.](https://appshunter.io/developer/383661866)
- Category: Productivity
- Price: Free
- Rating: 5.00/5 from 1 App Store ratings
- Age rating: 4+
- Requires: iOS 11.0 · 13 MB
- Languages: English
- Released: 2014-08-28
- Data updated: 2026-06-25
- Monetization: free
- User reviews in markdown: https://appshunter.io/ios/app/medicinal-chemistry-toolkit/id910073742/reviews.md

## What is Medicinal Chemistry Toolkit?

Medicinal Chemistry Toolkit

The Medicinal Chemistry Toolkit App is currently under review. 

General Disclaimer: 
For all documents, data and information available via this App, The Royal Society of Chemistry (RSC) does not warrant or assume any legal liability or responsibility for the accuracy, completeness or usefulness of any information, apparatus, product, formula, compilation, dosage, procedure or process disclosed. Specifically, any information within this App should not be relied upon in any way whatsoever for any assessment of risks concerning any specific procedure or process. You must conduct your own risk assessment for any experiment, procedure, or process.  Risk assessments have NOT been carried out by the RSC and the RSC gives no assurance or warranty that any information and/or resources within this App is safe or achieve their stated aims.  In particular the information within this App may no longer be correct or appropriate to local regulations, legal codes, practices or policies, or may be out of date. The RSC takes no responsibility for any injury, loss or damage, financial or otherwise, suffered or caused in any manner whatsoever by the use or application of this App.
Revised: May 19th, 2016.

The Medicinal Chemistry Toolkit app is a suite of resources to support the day to day work of a medicinal chemist. Based on the experiences of medicinal chemistry experts, we developed otherwise difficult-to-access tools in a portable format for use in meetings, on the move and in the lab. The app is optimised for iPad and contains calculator functions designed to ease the process of calculating values of: Cheng-Prusoff; Dose to man; Gibbs free energy to binding constant; Maximum absorbable dose calculator; Potency shift due to plasma protein binding; Log D vs pH curves; Attrition Modeller, Drug-drug interactions; GClogP, Ligand Lipophilic Efficiency and compound quality calculations.

## Key features

- Cheng-Prusoff calculator
- Dose to man calculator
- Gibbs free energy to binding constant
- Maximum absorbable dose calculator
- Potency shift due to plasma protein binding
- Log D vs pH curves
- Compound quality calculations


## Frequently asked questions about Medicinal Chemistry Toolkit

### What is the Medicinal Chemistry Toolkit?

The Medicinal Chemistry Toolkit is a collection of resources designed to support the daily work of medicinal chemists. It offers various calculators and tools in a portable format for use in meetings, on the move, and in the lab.

### What specific calculations can the Medicinal Chemistry Toolkit perform?

The app includes calculators for Cheng-Prusoff, Dose to man, Gibbs free energy to binding constant, Maximum absorbable dose, Potency shift due to plasma protein binding, Log D vs pH curves, Attrition Modeller, Drug-drug interactions, GClogP, Ligand Lipophilic Efficiency, and compound quality.

### Is the Medicinal Chemistry Toolkit available on Android or iPhone?

Currently, the Medicinal Chemistry Toolkit is optimized for iPad and is not available on Android or iPhone devices. It was last updated on November 28, 2017.

### What is the user rating for the Medicinal Chemistry Toolkit?

The app has a perfect rating of 5.0 stars based on 1 review. This indicates a highly positive user sentiment among its current users.

### Does the Medicinal Chemistry Toolkit have ads?

No, the Medicinal Chemistry Toolkit does not contain advertisements. It is a free application without any in-app purchases or ads.

### When was the Medicinal Chemistry Toolkit last updated?

The Medicinal Chemistry Toolkit was last updated on November 28, 2017. The current version is 2.2.1.

### What is the age rating for the Medicinal Chemistry Toolkit?

The Medicinal Chemistry Toolkit has an age rating of 4+. This means it is suitable for users aged 4 and above.

### Does the Medicinal Chemistry Toolkit offer any collaboration features?

The provided description does not mention any specific collaboration features. The app focuses on providing individual calculation tools for medicinal chemists.

## Version history (last 5 releases)

### 2.2.1 — 2017-11-28

This app has been updated by Apple to display the Apple Watch app icon.

Rebranded.

### 2.1 — 2016-12-20

Along with bug fixes, the drug -drug interaction app is updated so fraction metabolised by CYP,  fmCYP, and fraction extracted by gut, fgut, can be input if these values are known.

### 2.0 — 2015-05-05

New functionality allows you to draw your own structures to provide direct feedback on the quality/drug-like nature of your compound using the published “AZFilters” computational structural filters developed by AstraZeneca drug design teams, as well as calculating logP, (and with the input of a pIC50) calculate ligand efficiency and ligand lipophilic efficiency.

### 1.1 — 2014-12-13

New (December 2014): Three additional functions: LogD vs pH curves, Attrition modeller and Drug-drug interactions.

### 1.0 — 2014-08-28

No release notes.

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*Data collected daily from the US App Store and indexed by [AppsHunter](https://appshunter.io/). User reviews are verbatim App Store reviews. Ratings, prices and chart positions refresh continuously; this snapshot is from 2026-06-25.*
