| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 18th, 2011 | 24 | Yes |
Popular Name: 8,9-dimethyl-N6-[(1-methylbenzimidazol-2-yl)methyl]purine-2,6-diamine 8,9-dimethyl-N6-[(1-methylbenzim…
| 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) | 1.63 | 8.11 | -15.54 | 3 | 8 | 0 | 99 | 322.376 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.63 | 8.54 | -32.43 | 4 | 8 | 1 | 101 | 323.384 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.63 | 8.93 | -88.03 | 5 | 8 | 2 | 102 | 324.392 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
