In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2010 | 26 | Yes |
Popular Name: [(4R)-7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-phenyl-methanone [(4R)-7,8-dimethyl-4-phenyl-3,4-…
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) | 4.48 | 12.87 | -10.15 | 0 | 2 | 0 | 20 | 341.454 | 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 | 7770 | 0.28 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 7770 | 0.28 | Functional ≤ 10μM |