| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 19 | No |
Popular Name: 2-[4-[(1R,2S)-2-nitrocyclopropanecarbonyl]-1,4-diazepan-1-yl]acetamide 2-[4-[(1R,2S)-2-nitrocyclopropan…
| 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) | -1.06 | 4.56 | -51.12 | 3 | 8 | 1 | 114 | 271.297 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.06 | 2.94 | -20.45 | 2 | 8 | 0 | 112 | 270.289 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
