In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 30 | Yes |
Popular Name: 3-fluoro-N-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-pyridyl]benzamide 3-fluoro-N-[6-[4-[(3-fluoropheny…
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) | 3.77 | 9.69 | -13.62 | 1 | 5 | 0 | 48 | 408.452 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.77 | 11.9 | -51.21 | 2 | 5 | 1 | 50 | 409.46 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.77 | 12.24 | -111.24 | 3 | 5 | 2 | 51 | 410.468 | 5 | ↓ |