In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2011 | 22 | Yes |
Popular Name: 6-methyl-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one 6-methyl-2-[2-oxo-2-(p-tolyl)eth…
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) | 4.50 | 6.29 | -47.93 | 0 | 4 | -1 | 66 | 329.426 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.04 | 8.27 | -12.15 | 1 | 4 | 0 | 63 | 330.434 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.