In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 7th, 2010 | 15 | Yes |
Popular Name: 6-(1H-pyrazol-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione 6-(1H-pyrazol-3-ylmethylamino)-2…
None
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) | -1.21 | -2.56 | -9.19 | 4 | 8 | 0 | 119 | 208.181 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.75 | -4.23 | -40.22 | 3 | 8 | -1 | 122 | 207.173 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.