| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 27 | Yes |
Popular Name: Bisacodyl Bisacodyl
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1336-29-4 , 30652-11-0 , 603-50-9 , [135159-51-2] , [603-50-9]
(Pyridin-2-ylmethylene)bis(4,1-phenylene) diacetate
603-50-9; Bisacodyl (JP16/USP/INN); D00245; Dulcolax (TN)
603-50-9; Bisacodyl; Prestwick_780
Acetic acid 4-[(4-acetoxy-phenyl)-pyridin-2-yl-methyl]-phenyl ester
[4-[(4-acetyloxyphenyl)-pyridin-2-yl-methyl]phenyl] acetate: methane
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.03 | 12.4 | -14.57 | 0 | 5 | 0 | 66 | 361.397 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.03 | 12.84 | -44.37 | 1 | 5 | 1 | 67 | 362.405 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mechanism | Alters electrolyte secretion | IBScreen Bioactives |
| mechanism | Alters water secretion | IBScreen Bioactives |
| biological_use | Cathartic | IBScreen Bioactives |
| biological_use | Laxative | IBScreen Bioactives IBScreen Bioactives |
| Target | Others | Selleck Chemicals |
| mechanism | Stimulates myenteric-plexus | IBScreen Bioactives IBScreen Bioactives |
No pre-computed analogs available. Try a structural similarity search.