In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 29th, 2008 | 30 | Yes |
Popular Name: 2-(4-benzylpiperazin-1-yl)-N-(2-methylprop-2-enyl)quinoline-4-carboxamide 2-(4-benzylpiperazin-1-yl)-N-(2-…
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) | 4.29 | 10.01 | -10.11 | 1 | 5 | 0 | 48 | 400.526 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.29 | 12.25 | -50.48 | 2 | 5 | 1 | 50 | 401.534 | 6 | ↓ |