| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2009 | 18 | Yes |
Popular Name: 3-(p-tolyl)isoquinolin-1-ol 3-(p-tolyl)isoquinolin-1-ol
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) | 3.84 | 6.94 | -14.16 | 1 | 2 | 0 | 33 | 235.286 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80482-4-O | SK-MEL-2 (Melanoma Cells) (cluster #4 Of 4), Other | Other | 5010 | 0.41 | Functional ≤ 10μM |
| Z80600-1-O | XF498 (Glioma Cells) (cluster #1 Of 2), Other | Other | 7080 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80482 | Z80482 | SK-MEL-2 (Melanoma Cells) | 5010 | 0.41 | Functional ≤ 10μM |
| Z80600 | Z80600 | XF498 (Glioma Cells) | 7080 | 0.40 | Functional ≤ 10μM |
