In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2011 | 22 | Yes |
Popular Name: 6-methyl-2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one 6-methyl-2-[2-(4-methyl-1-piperi…
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) | 2.94 | 6.38 | -15.66 | 1 | 5 | 0 | 66 | 337.47 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.40 | 4.92 | -47.75 | 0 | 5 | -1 | 69 | 336.462 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.