| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2009 | 21 | Yes |
Popular Name: (5R)-9-bromo-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol (5R)-9-bromo-5-(4-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) | 2.42 | 1.97 | -63.48 | 4 | 4 | 0 | 80 | 350.212 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.42 | 1.21 | -47.86 | 5 | 4 | 1 | 77 | 351.22 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 150 | 0.45 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597 | Z50597 | Rattus Norvegicus | 150 | 0.45 | Functional ≤ 10μM |
