| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2010 | 13 | Yes |
Popular Name: 2-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazol-3-amine 2-methyl-4-(5-methyl-1H-1,2,4-tr…
| 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) | -0.42 | 2.23 | -9.28 | 3 | 6 | 0 | 85 | 178.199 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.42 | 2.38 | -37.9 | 4 | 6 | 1 | 87 | 179.207 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.42 | 2.25 | -31.44 | 4 | 6 | 1 | 87 | 179.207 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
