In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 21 | Yes |
Popular Name: N-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)-3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine N-(1-ethyl-3,5-dimethyl-pyrazol-…
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) | 2.05 | 6.77 | -10.19 | 2 | 7 | 0 | 84 | 303.395 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.05 | 6.91 | -31.4 | 3 | 7 | 1 | 86 | 304.403 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.