| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2009 | 26 | No |
Popular Name: (1S)-2-methyl-1-[(4-phenylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-6,7-diol (1S)-2-methyl-1-[(4-phenylphenyl…
| 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) | 4.52 | 9.1 | -47.96 | 3 | 3 | 1 | 45 | 346.45 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.52 | 7.39 | -9.37 | 2 | 3 | 0 | 44 | 345.442 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80742-1-O | C6 (Glioma Cells) (cluster #1 Of 3), Other | Other | 8000 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80742 | Z80742 | C6 (Glioma Cells) | 8000 | 0.27 | Functional ≤ 10μM |
