In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2010 | 14 | Yes |
Popular Name: 4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine 4-(4-ethyl-5-methyl-1,2,4-triazo…
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) | -0.04 | 3.19 | -14.45 | 3 | 6 | 0 | 85 | 192.226 | 2 | ↓ |
Lo Low (pH 4.5-6) | -0.04 | 3.36 | -41.93 | 4 | 6 | 1 | 87 | 193.234 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.