In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 25 | Yes |
Popular Name: 5-(2,5-dimethylphenyl)-2-(1-piperidylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one 5-(2,5-dimethylphenyl)-2-(1-pipe…
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) | 4.11 | 11.12 | -49.36 | 2 | 4 | 1 | 50 | 354.499 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.57 | 8.74 | -40.5 | 1 | 4 | 0 | 53 | 353.491 | 3 | ↓ |