| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2009 | 21 | Yes |
Popular Name: (4S)-2-isopropyl-7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline (4S)-2-isopropyl-7,8-dimethyl-4-…
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) | 4.59 | 12.33 | -36.23 | 1 | 1 | 1 | 4 | 280.435 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.59 | 10.05 | -3.1 | 0 | 1 | 0 | 3 | 279.427 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81034-3-O | A2780 (Ovarian Carcinoma Cells) (cluster #3 Of 10), Other | Other | 6280 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 6280 | 0.35 | Functional ≤ 10μM |
