| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 18th, 2011 | 21 | Yes |
Popular Name: 8,9-dimethyl-N6-[(1S)-1-(2-pyridyl)ethyl]purine-2,6-diamine 8,9-dimethyl-N6-[(1S)-1-(2-pyrid…
| 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) | 1.36 | 7.05 | -13.15 | 3 | 7 | 0 | 95 | 283.339 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.36 | 7.59 | -84.95 | 5 | 7 | 2 | 97 | 285.355 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.36 | 7.22 | -38.29 | 4 | 7 | 1 | 96 | 284.347 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
