In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2010 | 19 | No |
Popular Name: 2-sulfanyl-3-[(1S)-1-(2-thienyl)propyl]thieno[2,3-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) | 3.16 | 8.79 | -10.98 | 1 | 3 | 0 | 38 | 308.453 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.62 | 7.78 | -37.41 | 0 | 3 | -1 | 41 | 307.445 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.