In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 30th, 2008 | 28 | Yes |
Popular Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-3H-thieno[2,3-e]pyrimidin-4-one 2-[[4-(3,4-dimethylphenyl)sulfon…
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) | 2.28 | 4.63 | -28.95 | 1 | 7 | 0 | 86 | 418.544 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.28 | 6.46 | -83.24 | 2 | 7 | 1 | 88 | 419.552 | 4 | ↓ |