In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 29 | Yes |
Popular Name: 5,6-dimethyl-3-(4-phenoxybutyl)-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-one 5,6-dimethyl-3-(4-phenoxybutyl)-…
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) | 3.94 | 13.67 | -53.48 | 1 | 5 | 1 | 49 | 412.579 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.94 | 11.23 | -13.44 | 0 | 5 | 0 | 47 | 411.571 | 8 | ↓ |