In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2010 | 20 | No |
Popular Name: 2-sulfanyl-3-[(1S)-1-(2-thienyl)butyl]thieno[3,2-d]pyrimidin-4-one 2-sulfanyl-3-[(1S)-1-(2-thienyl)…
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) | 4.17 | 8.45 | -42.12 | 0 | 3 | -1 | 41 | 321.472 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.72 | 9.54 | -11.32 | 1 | 3 | 0 | 38 | 322.48 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.