| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 18th, 2011 | 23 | Yes |
Popular Name: 4-[(2-amino-8,9-dimethyl-purin-6-yl)amino]-N,1-dimethyl-pyrazole-3-carboxamide 4-[(2-amino-8,9-dimethyl-purin-6…
| 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) | 0.51 | 4.39 | -18.49 | 4 | 10 | 0 | 129 | 315.341 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.51 | 3.98 | -31.55 | 5 | 10 | 1 | 130 | 316.349 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.51 | 4.86 | -37.72 | 5 | 10 | 1 | 130 | 316.349 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
