| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2010 | 31 | Yes |
Popular Name: 7-(4-butoxycarbonylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic 7-(4-butoxycarbonylpiperazin-1-y…
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) | 1.41 | 12.7 | -68.71 | 0 | 8 | -1 | 95 | 430.456 | 7 | ↓ |
| Mid Mid (pH 6-8) | -1.34 | 10.71 | -34.82 | 1 | 8 | 0 | 98 | 431.464 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80390-1-O | PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other | Other | 9000 | 0.23 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 9000 | 0.23 | Functional ≤ 10μM |
