| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 42 | 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) | 7.92 | 9.69 | -11.21 | 4 | 9 | 0 | 145 | 586.818 | 22 | ↓ |
| Mid Mid (pH 6-8) | 7.92 | 9.68 | -9.78 | 4 | 9 | 0 | 145 | 586.818 | 22 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 9000 | 0.17 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 9000 | 0.17 | Functional ≤ 10μM |
