| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 17 | Yes |
Popular Name: N-(2-cyanoethyl)-N-methyl-2-(5-oxo-1,4-diazepan-1-yl)acetamide N-(2-cyanoethyl)-N-methyl-2-(5-o…
| 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) | -1.61 | 3.12 | -56.43 | 2 | 6 | 1 | 78 | 239.299 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.61 | 1.14 | -17.98 | 1 | 6 | 0 | 76 | 238.291 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
