| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 21st, 2010 | 19 | Yes |
Popular Name: (4S)-2,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline (4S)-2,7,8-trimethyl-4-phenyl-3,…
None
| 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) | 3.92 | 11.2 | -38.68 | 1 | 1 | 1 | 4 | 252.381 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81034-3-O | A2780 (Ovarian Carcinoma Cells) (cluster #3 Of 10), Other | Other | 7300 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 7300 | 0.38 | Functional ≤ 10μM |
