In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 30 | Yes |
Popular Name: 2-fluoro-N-[6-[4-[(2R)-2-hydroxy-3-isopropoxy-propyl]piperazin-1-yl]-3-pyridyl]benzamide 2-fluoro-N-[6-[4-[(2R)-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) | 2.29 | 5.19 | -16.79 | 2 | 7 | 0 | 78 | 416.497 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.29 | 7.46 | -50 | 3 | 7 | 1 | 79 | 417.505 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.29 | 7.8 | -106.61 | 4 | 7 | 2 | 80 | 418.513 | 8 | ↓ |