In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 32 | Yes |
Popular Name: 4-fluoro-N-[6-[4-[(2S)-2-hydroxy-3-(1-piperidyl)propyl]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) | 2.55 | 7.46 | -43.69 | 3 | 7 | 1 | 73 | 442.559 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.55 | 9.74 | -113.62 | 4 | 7 | 2 | 74 | 443.567 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.55 | 10.08 | -189.76 | 5 | 7 | 3 | 76 | 444.575 | 7 | ↓ |