In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 35 | Yes |
Popular Name: N-[(4-chlorophenyl)methyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-7-carboxamide N-[(4-chlorophenyl)methyl]-1-[4-…
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) | 5.17 | 12.75 | -13 | 1 | 6 | 0 | 58 | 487.003 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.17 | 13.22 | -41.75 | 2 | 6 | 1 | 59 | 488.011 | 6 | ↓ |