| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2011 | 33 | Yes |
Popular Name: 4-[4-[4-(4-methylpiperazin-1-yl)anilino]-6-quinolyl]benzoic 4-[4-[4-(4-methylpiperazin-1-yl)…
| 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) | 5.84 | 13.9 | -113.82 | 3 | 6 | 1 | 74 | 439.539 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.84 | 11.12 | -52.65 | 1 | 6 | -1 | 72 | 437.523 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.84 | 11.56 | -71.83 | 2 | 6 | 0 | 73 | 438.531 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
