In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 27th, 2008 | 29 | Yes |
Popular Name: 2-[[4-(4-fluorophenyl)-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile 2-[[4-(4-fluorophenyl)-5-(1-pipe…
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) | 3.93 | 3.82 | -40.99 | 1 | 5 | 1 | 59 | 408.526 | 6 | ↓ |