| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2011 | 17 | Yes |
Popular Name: 1,4-diazepan-1-yl-[(3R)-3-ethyl-3-piperidyl]methanone 1,4-diazepan-1-yl-[(3R)-3-ethyl-…
| 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) | 0.02 | 3.84 | -97.71 | 4 | 4 | 2 | 54 | 241.379 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.02 | 2.81 | -41.68 | 3 | 4 | 1 | 49 | 240.371 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
