| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 25 | Yes |
Popular Name: 2-[(3R)-3-(azepan-1-yl)-1-piperidyl]-N,N-bis(2-cyanoethyl)acetamide 2-[(3R)-3-(azepan-1-yl)-1-piperi…
| 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) | 0.44 | 9.11 | -50.14 | 1 | 6 | 1 | 76 | 346.499 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.44 | 6.85 | -16.73 | 0 | 6 | 0 | 74 | 345.491 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
