| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2010 | 11 | Yes |
Popular Name: N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propan-1-amine N-[(5-methyl-1H-1,2,4-triazol-3-…
| 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) | 0.02 | 2.95 | -35.79 | 3 | 4 | 1 | 58 | 155.225 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.02 | 1.59 | -5.55 | 2 | 4 | 0 | 54 | 154.217 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.02 | 2.82 | -34 | 2 | 4 | 0 | 56 | 154.217 | 4 | ↓ |
