| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 18th, 2011 | 22 | Yes |
Popular Name: N6-[(2-ethylpyrazol-3-yl)methyl]-N6,8,9-trimethyl-purine-2,6-diamine N6-[(2-ethylpyrazol-3-yl)methyl]…
| 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) | 1.28 | 8.73 | -14.2 | 2 | 8 | 0 | 91 | 300.37 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.28 | 9.12 | -32.11 | 3 | 8 | 1 | 92 | 301.378 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.28 | 9.2 | -31.73 | 3 | 8 | 1 | 92 | 301.378 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
