| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 14th, 2008 | 18 | Yes |
Popular Name: [(1S,4R)-4-(2,6-diaminopurin-9-yl)-1-cyclopent-2-enyl]methanol [(1S,4R)-4-(2,6-diaminopurin-9-y…
| 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) | 0.48 | 2.42 | -11.3 | 5 | 7 | 0 | 116 | 246.274 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.48 | -2.62 | -28.49 | 6 | 7 | 1 | 117 | 247.282 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.48 | 2.66 | -28.44 | 6 | 7 | 1 | 117 | 247.282 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
