| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 18 | Yes |
Popular Name: 4-[[[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]amino]methyl]benzene-1,3-diol 4-[[[(1S)-1-(4-methyl-1,2,4-tria…
| 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) | 0.52 | 1.99 | -49.59 | 4 | 6 | 1 | 88 | 249.294 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.52 | 0.68 | -15.94 | 3 | 6 | 0 | 83 | 248.286 | 4 | ↓ |
