In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 2009 | 27 | Yes |
Popular Name: N-[6-[4-[(2S)-2-hydroxy-3-methyl-butyl]piperazin-1-yl]-3-pyridyl]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) | 2.57 | 5.76 | -11.15 | 2 | 6 | 0 | 69 | 368.481 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.57 | 7.78 | -44.92 | 3 | 6 | 1 | 70 | 369.489 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.57 | 8.1 | -101.18 | 4 | 6 | 2 | 71 | 370.497 | 6 | ↓ |