In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 4th, 2010 | 20 | No |
Popular Name: 3-[(1R)-1-(2,4-dimethylthiazol-5-yl)ethyl]-2-sulfanyl-thieno[3,2-d]pyrimidin-4-one 3-[(1R)-1-(2,4-dimethylthiazol-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) | 2.32 | 6.07 | -42.27 | 0 | 4 | -1 | 54 | 322.46 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.86 | 7.16 | -13.39 | 1 | 4 | 0 | 51 | 323.468 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.