| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 5th, 2009 | 15 | No |
| 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) | 2.46 | 5.17 | -24.71 | 2 | 4 | 0 | 58 | 338.532 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80224-13-O | MCF7 (Breast Carcinoma Cells) (cluster #13 Of 14), Other | Other | 4900 | 0.50 | Functional ≤ 10μM |
| Z81233-1-O | M21 (Melanoma Cells) (cluster #1 Of 2), Other | Other | 8100 | 0.48 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81233 | Z81233 | M21 (Melanoma Cells) | 8100 | 0.48 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 4900 | 0.50 | Functional ≤ 10μM |
