| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 18th, 2011 | 21 | Yes |
Popular Name: 4-[(2-amino-8,9-dimethyl-purin-6-yl)amino]benzonitrile 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) | 2.46 | 8.37 | -12.4 | 3 | 7 | 0 | 105 | 279.307 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.46 | 8.58 | -33.48 | 4 | 7 | 1 | 107 | 280.315 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
