In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 20 | No |
Popular Name: 3-[(1R)-1-(p-tolyl)ethyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(1R)-1-(p-tolyl)ethyl]-2-sulf…
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) | 3.66 | 8.2 | -43.58 | 0 | 3 | -1 | 41 | 301.416 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.21 | 9.32 | -11.77 | 1 | 3 | 0 | 38 | 302.424 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.