In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 11th, 2011 | 26 | Yes |
Popular Name: 7-(1-ethylpyrazole-3-carbonyl)-2-(2-pyridyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one 7-(1-ethylpyrazole-3-carbonyl)-2…
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) | 0.76 | 6.03 | -17.68 | 1 | 8 | 0 | 97 | 350.382 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.21 | 4.04 | -59.5 | 0 | 8 | -1 | 100 | 349.374 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.