| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2009 | 17 | Yes |
Popular Name: 3-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzonitrile 3-[[(4-methyl-1,2,4-triazol-3-yl…
| 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) | 0.25 | 7.72 | -63.08 | 2 | 5 | 1 | 71 | 228.279 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.25 | 6.36 | -17.51 | 1 | 5 | 0 | 67 | 227.271 | 4 | ↓ |
