In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 31 | Yes |
Popular Name: 1-[4-(4-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-isoquinoline-7-carboxamide 1-[4-(4-chlorophenyl)piperazin-1…
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) | 5.11 | 12.61 | -11.98 | 1 | 5 | 0 | 48 | 434.971 | 4 | ↓ |
Mid Mid (pH 6-8) | 5.11 | 13.08 | -41.17 | 2 | 5 | 1 | 50 | 435.979 | 4 | ↓ |