In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2004 | 32 | Yes |
Popular Name: N-(4-butylphenyl)-2-[[4-keto-5-(p-tolyl)-1H-thieno[2,3-d]pyrimidin-2-yl]thio]acetamide N-(4-butylphenyl)-2-[[4-keto-5-(…
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) | 7.06 | 11.95 | -18.33 | 2 | 5 | 0 | 75 | 463.628 | 8 | ↓ |
Hi High (pH 8-9.5) | 7.52 | 10.71 | -48.43 | 1 | 5 | -1 | 78 | 462.62 | 8 | ↓ |