In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2008 | 19 | Yes |
Popular Name: 6-(p-tolylmethylsulfanyl)-1,2-dihydropyrazolo[4,3-e]pyrimidin-4-one 6-(p-tolylmethylsulfanyl)-1,2-di…
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) | 3.44 | 4.19 | -47.68 | 1 | 5 | -1 | 78 | 271.325 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 6.15 | -11.42 | 2 | 5 | 0 | 74 | 272.333 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 5.95 | -8.61 | 2 | 5 | 0 | 74 | 272.333 | 3 | ↓ |