| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2009 | 25 | Yes |
Popular Name: 3-fluoro-4-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]benzonitrile 3-fluoro-4-[[methyl-[(1S)-1-[4-(…
| 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) | 2.34 | 11.31 | -11.51 | 0 | 5 | 0 | 58 | 335.386 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.34 | 13.42 | -51.76 | 1 | 5 | 1 | 59 | 336.394 | 5 | ↓ |
