| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2009 | 31 | Yes |
Popular Name: (2S)-2-phenyl-N-[4-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl]butanamide (2S)-2-phenyl-N-[4-[[4-(2-pyridy…
| 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) | 4.56 | 11.78 | -35.72 | 2 | 5 | 1 | 50 | 415.561 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.56 | 11.44 | -12.16 | 1 | 5 | 0 | 48 | 414.553 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.56 | 14 | -99.82 | 3 | 5 | 2 | 51 | 416.569 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.56 | 13.68 | -44.99 | 2 | 5 | 1 | 50 | 415.561 | 7 | ↓ |
