| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2009 | 35 | Yes |
Popular Name: N-(4-isopropylphenyl)-N-methyl-1-[4-(2-pyridyl)piperazin-1-yl]isoquinoline-4-carboxamide N-(4-isopropylphenyl)-N-methyl-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) | 5.59 | 15.46 | -40.3 | 1 | 6 | 1 | 54 | 466.609 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.59 | 15.13 | -12.1 | 0 | 6 | 0 | 53 | 465.601 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 5.59 | 15.93 | -92.18 | 2 | 6 | 2 | 55 | 467.617 | 5 | ↓ |
