| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2009 | 21 | No |
Popular Name: (5S)-9-chloro-5-(3-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol (5S)-9-chloro-5-(3-hydroxyphenyl…
| 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) | 2.27 | 1.13 | -53.95 | 5 | 4 | 1 | 77 | 306.769 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.27 | 1.92 | -71.47 | 4 | 4 | 0 | 80 | 305.761 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 45 | 0.49 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597 | Z50597 | Rattus Norvegicus | 45 | 0.49 | Functional ≤ 10μM |
