| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2010 | 16 | Yes |
Popular Name: [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-piperidyl]methanamine [1-[(4,5-dimethyl-1,2,4-triazol-…
| 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) | -0.97 | 5.15 | -111.28 | 4 | 5 | 2 | 63 | 225.34 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.97 | 2.93 | -54.15 | 3 | 5 | 1 | 62 | 224.332 | 3 | ↓ |
