| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 20 | Yes |
Popular Name: 8-[[(1S)-2-cyclopropyl-1-methyl-ethyl]amino]-1,3-dimethyl-7H-purine-2,6-dione 8-[[(1S)-2-cyclopropyl-1-methyl-…
| 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) | 1.64 | 7.59 | -8.8 | 2 | 7 | 0 | 85 | 277.328 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.64 | 7.69 | -46.01 | 3 | 7 | 1 | 89 | 278.336 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
