| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2009 | 34 | Yes |
Popular Name: N-(4-isopropylphenyl)-1-[4-(2-pyridyl)piperazin-1-yl]isoquinoline-4-carboxamide N-(4-isopropylphenyl)-1-[4-(2-py…
| 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) | 5.35 | 12.23 | -43.23 | 2 | 6 | 1 | 63 | 452.582 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.35 | 11.94 | -12.61 | 1 | 6 | 0 | 61 | 451.574 | 5 | ↓ |
