| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2008 | 32 | No |
Popular Name: 3-butyl-7-isopentyl-8-[(4-methyl-2-nitro-phenoxy)methyl]purine-2,6-dione 3-butyl-7-isopentyl-8-[(4-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) | 4.23 | 12.59 | -18.92 | 1 | 10 | 0 | 128 | 443.504 | 10 | ↓ |
| Mid Mid (pH 6-8) | 4.23 | 13.04 | -52.09 | 2 | 10 | 1 | 129 | 444.512 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
