| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2005 | 12 | Yes |
Popular Name: 8-chloro-3,9-dihydro-1H-purine-2,6-dione 8-chloro-3,9-dihydro-1H-purine-2…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13548-68-0 , [13548-68-0]
| 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) | 0.37 | -2.22 | -31.69 | 2 | 6 | -1 | 97 | 185.55 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.83 | -2.41 | -98.18 | 1 | 6 | -2 | 101 | 184.542 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.37 | -2.03 | -38.23 | 2 | 6 | -1 | 97 | 185.55 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.