| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 19th, 2009 | 33 | Yes |
Popular Name: (2S,3S)-3-(5,5-diphenylpentylamino)-5,8-dimethoxy-tetralin-2-ol (2S,3S)-3-(5,5-diphenylpentylami…
| 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) | 5.49 | 11.73 | -41.94 | 3 | 4 | 1 | 55 | 446.611 | 10 | ↓ |
| Hi High (pH 8-9.5) | 5.49 | 10.44 | -9.21 | 2 | 4 | 0 | 51 | 445.603 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50592-3-O | Oryctolagus Cuniculus (cluster #3 Of 8), Other | Other | 2000 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50592 | Z50592 | Oryctolagus Cuniculus | 2000 | 0.24 | Functional ≤ 10μM |
