| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 25 | Yes |
Popular Name: 3,7-dimethyl-8-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)purine-2,6-dione 3,7-dimethyl-8-(1-methyl-3,5-dih…
None
| 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) | 0.79 | 8.77 | -9.44 | 1 | 8 | 0 | 79 | 340.387 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.79 | 8.96 | -45.36 | 2 | 8 | 1 | 80 | 341.395 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
