In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 28 | Yes |
Popular Name: N-[6-[4-[(2S)-2-hydroxy-3-methyl-butyl]piperazin-1-yl]-3-pyridyl]-4-methyl-benzamide N-[6-[4-[(2S)-2-hydroxy-3-methyl…
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) | 3.02 | 6.35 | -11.01 | 2 | 6 | 0 | 69 | 382.508 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.02 | 8.46 | -44.9 | 3 | 6 | 1 | 70 | 383.516 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.02 | 8.98 | -101.51 | 4 | 6 | 2 | 71 | 384.524 | 6 | ↓ |