| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 22 | No |
Popular Name: (4S)-8-[benzyl(methyl)amino]-1,3-dimethyl-4H-purine-2,6-dione (4S)-8-[benzyl(methyl)amino]-1,3…
| 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) | 0.53 | 6.99 | -8.42 | 0 | 7 | 0 | 69 | 299.334 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.53 | 7.92 | -36.6 | 1 | 7 | 1 | 70 | 300.342 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
