| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 22 | Yes |
Popular Name: (3R,5R)-3-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-5-methyl-tetrahydrofuran-2-one (3R,5R)-3-[4-(2-cyclopentylacety…
| 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) | 0.82 | 9.59 | -51.07 | 1 | 5 | 1 | 51 | 309.43 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.82 | 7.79 | -10.38 | 0 | 5 | 0 | 50 | 308.422 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]tetrahydrofuran-2-one](http://zinc12.docking.org/img/rings/412573.gif)