| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2010 | 43 | 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) | 5.46 | 15.79 | -15.64 | 0 | 9 | 0 | 110 | 598.733 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81245-4-O | MDA-MB-435 (Breast Carcinoma Cells) (cluster #4 Of 6), Other | Other | 289 | 0.21 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81245 | Z81245 | MDA-MB-435 (Breast Carcinoma Cells) | 289 | 0.21 | Functional ≤ 10μM |
