In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 26 | Yes |
Popular Name: 1-(azepan-1-yl)-4-(2-isobutyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)butane-1,4-dione 1-(azepan-1-yl)-4-(2-isobutyl-5,…
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) | 1.70 | 9.11 | -9.79 | 0 | 6 | 0 | 66 | 358.486 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.