| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2009 | 28 | Yes |
Popular Name: N-Desmethyldiltiazem N-Desmethyldiltiazem
None
| 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) | 3.09 | 9.62 | -47.74 | 2 | 6 | 1 | 72 | 401.508 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.09 | 8.1 | -14.95 | 1 | 6 | 0 | 68 | 400.5 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50740-1-O | Cricetinae Gen. Sp. (cluster #1 Of 2), Other | Other | 3270 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50740 | Z50740 | Cricetinae Gen. Sp. | 3270 | 0.27 | Functional ≤ 10μM |
