In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 15th, 2004 | 30 | Yes |
Popular Name: N-(3,5-dimethylphenyl)-2-[[4-keto-5-(p-tolyl)-1H-thieno[2,3-d]pyrimidin-2-yl]thio]acetamide N-(3,5-dimethylphenyl)-2-[[4-ket…
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) | 6.02 | 10.29 | -18.57 | 2 | 5 | 0 | 75 | 435.574 | 5 | ↓ |
Hi High (pH 8-9.5) | 6.48 | 9.05 | -48.74 | 1 | 5 | -1 | 78 | 434.566 | 5 | ↓ |