In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 15th, 2011 | 29 | Yes |
Popular Name: (2R)-N-(o-tolyl)-2-[(4-oxo-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanamide (2R)-N-(o-tolyl)-2-[(4-oxo-1-phe…
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) | 4.31 | 8.39 | -47.6 | 1 | 7 | -1 | 96 | 404.475 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.85 | 9.78 | -16.01 | 2 | 7 | 0 | 93 | 405.483 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.