In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 22 | Yes |
Popular Name: 3-butyl-2-(diethylaminomethyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one 3-butyl-2-(diethylaminomethyl)-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) | 3.51 | 11.53 | -48.41 | 1 | 4 | 1 | 39 | 322.498 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.51 | 9.33 | -10.79 | 0 | 4 | 0 | 38 | 321.49 | 7 | ↓ |