In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 31 | Yes |
Popular Name: 4-fluoro-N-[6-[4-[(2S)-2-hydroxy-2-phenyl-ethyl]piperazin-1-yl]-3-pyridyl]benzamide 4-fluoro-N-[6-[4-[(2S)-2-hydroxy…
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) | 3.07 | 7.47 | -12.08 | 2 | 6 | 0 | 69 | 420.488 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.07 | 9.7 | -48.13 | 3 | 6 | 1 | 70 | 421.496 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.07 | 10.02 | -108.74 | 4 | 6 | 2 | 71 | 422.504 | 6 | ↓ |