In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 34 | Yes |
Popular Name: 4-[1-[3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl]-3-methyl-2,6-dioxo-purin-7-yl]butanoic 4-[1-[3-(3,7-dimethyl-2,6-dioxo-…
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) | -0.13 | 12.79 | -66.32 | 0 | 14 | -1 | 164 | 471.454 | 8 | ↓ |
Lo Low (pH 4.5-6) | -0.13 | 10.81 | -29.16 | 1 | 14 | 0 | 161 | 472.462 | 8 | ↓ |