| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 25 | Yes |
Popular Name: (3S)-1-[(3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl]pyrrolidine-3-carboxamide (3S)-1-[(3-butyl-7-methyl-2,6-di…
| 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 | 3.92 | -55.03 | 4 | 9 | 1 | 120 | 349.415 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.37 | 1.48 | -14.81 | 3 | 9 | 0 | 119 | 348.407 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
