In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 33 | Yes |
Popular Name: N-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-pyridyl]-2-(trifluoromethyl)benzamide N-[6-[4-[(3-fluorophenyl)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) | 4.48 | 10.69 | -15.48 | 1 | 5 | 0 | 48 | 458.459 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.48 | 12.93 | -52.9 | 2 | 5 | 1 | 50 | 459.467 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.48 | 13.24 | -113.24 | 3 | 5 | 2 | 51 | 460.475 | 6 | ↓ |