| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 19th, 2009 | 32 | Yes |
Popular Name: (2S,3S)-3-(4,4-diphenylbutylamino)-5,8-dimethoxy-tetralin-2-ol (2S,3S)-3-(4,4-diphenylbutylamin…
| 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) | 4.98 | 10.96 | -42.08 | 3 | 4 | 1 | 55 | 432.584 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.98 | 9.67 | -9.24 | 2 | 4 | 0 | 51 | 431.576 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50592-3-O | Oryctolagus Cuniculus (cluster #3 Of 8), Other | Other | 800 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50592 | Z50592 | Oryctolagus Cuniculus | 800 | 0.27 | Functional ≤ 10μM |
