| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2008 | 26 | Yes |
Popular Name: Desacetyldilthiazem hydrochloride Desacetyldilthiazem hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Number: 40601-99-8
| 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) | 2.63 | 7.73 | -46.05 | 2 | 5 | 1 | 54 | 373.498 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 5.2 | -10.08 | 1 | 5 | 0 | 53 | 372.49 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50740-1-O | Cricetinae Gen. Sp. (cluster #1 Of 2), Other | Other | 2460 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50740 | Z50740 | Cricetinae Gen. Sp. | 2460 | 0.30 | Functional ≤ 10μM |
