In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 25 | Yes |
Popular Name: N-[6-[4-[(2S)-2-hydroxy-3-methyl-butyl]piperazin-1-yl]-3-pyridyl]-3-methyl-butanamide 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) | 2.51 | 4.73 | -9.88 | 2 | 6 | 0 | 69 | 348.491 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.51 | 5.05 | -33.3 | 3 | 6 | 1 | 70 | 349.499 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.51 | 6.84 | -43.21 | 3 | 6 | 1 | 70 | 349.499 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.51 | 7.16 | -98.65 | 4 | 6 | 2 | 71 | 350.507 | 7 | ↓ |