| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2009 | 20 | Yes |
Popular Name: (5R)-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol (5R)-5-(4-hydroxyphenyl)-2,3,4,5…
| 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) | 1.46 | 1.55 | -79.28 | 4 | 4 | 0 | 80 | 271.316 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | 0.63 | -58.42 | 5 | 4 | 1 | 77 | 272.324 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.46 | 1.41 | -89.51 | 4 | 4 | 0 | 80 | 271.316 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597-12-O | Rattus Norvegicus (cluster #12 Of 12), Other | Other | 200 | 0.47 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597 | Z50597 | Rattus Norvegicus | 200 | 0.47 | Functional ≤ 10μM |
