In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2008 | 22 | Yes |
Popular Name: ethyl 4-(4-methyl-1-piperazinyl)-3-quinolinecarboxylate ethyl 4-(4-methyl-1-piperazinyl)…
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) | 2.36 | 6.39 | -35.54 | 1 | 5 | 1 | 47 | 300.382 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.36 | 8.45 | -44.76 | 1 | 5 | 1 | 47 | 300.382 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.36 | 8.85 | -86.34 | 2 | 5 | 2 | 48 | 301.39 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.36 | 5.98 | -7.5 | 0 | 5 | 0 | 46 | 299.374 | 4 | ↓ |