In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 27th, 2007 | 32 | Yes |
Popular Name: 3-benzyl-7-butyl-1-[(3-fluoro-4-methoxy-phenyl)methyl]purine-2,6-dione 3-benzyl-7-butyl-1-[(3-fluoro-4-…
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) | 4.84 | 14.64 | -13.59 | 0 | 7 | 0 | 71 | 436.487 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.84 | 15.15 | -54.73 | 1 | 7 | 1 | 72 | 437.495 | 8 | ↓ |