In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2004 | 26 | Yes |
Popular Name: 2-[(2-methylbenzyl)thio]-5-(p-tolyl)-1H-thieno[2,3-d]pyrimidin-4-one 2-[(2-methylbenzyl)thio]-5-(p-to…
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) | 6.39 | 11.22 | -16.06 | 1 | 3 | 0 | 46 | 378.522 | 4 | ↓ |
Mid Mid (pH 6-8) | 6.84 | 9.99 | -48.86 | 0 | 3 | -1 | 49 | 377.514 | 4 | ↓ |