| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2008 | 32 | No |
Popular Name: 3-butyl-8-[5-(4-chloro-2-nitro-phenyl)-2-furyl]-7-ethyl-purine-2,6-dione 3-butyl-8-[5-(4-chloro-2-nitro-p…
| 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) | 4.60 | 11.89 | -14.38 | 1 | 10 | 0 | 132 | 457.874 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.60 | 12.36 | -43.95 | 2 | 10 | 1 | 133 | 458.882 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
