| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 18th, 2011 | 20 | Yes |
Popular Name: 8,9-dimethyl-N6-[(2-methylthiazol-4-yl)methyl]purine-2,6-diamine 8,9-dimethyl-N6-[(2-methylthiazo…
| 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) | 0.85 | 5.53 | -13.33 | 3 | 7 | 0 | 95 | 289.368 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.85 | 5.93 | -30.84 | 4 | 7 | 1 | 96 | 290.376 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.85 | 6 | -29.8 | 4 | 7 | 1 | 96 | 290.376 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
