| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 17 | Yes |
Popular Name: [1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3,5-dimethyl-pyrazol-4-yl]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) | -0.75 | 4.05 | -48.78 | 3 | 6 | 1 | 76 | 235.315 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.75 | 3.65 | -11.8 | 2 | 6 | 0 | 75 | 234.307 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
