| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 26 | Yes |
Popular Name: 2-[[2,6-diketo-3-methyl-7-(3-methylbenzyl)purin-8-yl]thio]acetic-acid-methyl-ester 2-[[2,6-diketo-3-methyl-7-(3-met…
| 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) | 1.85 | -0.29 | -10.3 | 1 | 8 | 0 | 98 | 374.422 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.85 | -0.03 | -42.41 | 2 | 8 | 1 | 100 | 375.43 | 6 | ↓ |
