| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 31st, 2010 | 26 | Yes |
Popular Name: 3-methyl-N-[4-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl]butanamide 3-methyl-N-[4-[[4-(2-pyridyl)pip…
| 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) | 3.26 | 8.97 | -34.29 | 2 | 5 | 1 | 50 | 353.49 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.26 | 8.63 | -10.96 | 1 | 5 | 0 | 48 | 352.482 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.26 | 11.18 | -98.5 | 3 | 5 | 2 | 51 | 354.498 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.26 | 10.87 | -43.22 | 2 | 5 | 1 | 50 | 353.49 | 6 | ↓ |
