| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2009 | 22 | Yes |
Popular Name: (5S)-9-chloro-5-(4-hydroxyphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol (5S)-9-chloro-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) | 2.89 | 4.21 | -64.93 | 3 | 4 | 0 | 68 | 319.788 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.89 | 1.82 | -44.12 | 2 | 4 | -1 | 67 | 318.78 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.89 | 3.43 | -49.02 | 4 | 4 | 1 | 65 | 320.796 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50592-3-O | Oryctolagus Cuniculus (cluster #3 Of 8), Other | Other | 90 | 0.45 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 1400 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50592 | Z50592 | Oryctolagus Cuniculus | 90 | 0.45 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 10000 | 0.32 | Functional ≤ 10μM |
