| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 22 | Yes |
Popular Name: 3-(4-ethoxyphenyl)-1-(4-ethyl-1,4-diazepan-1-yl)propan-1-one 3-(4-ethoxyphenyl)-1-(4-ethyl-1,…
| 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) | 2.96 | 10.21 | -40.2 | 1 | 4 | 1 | 34 | 305.442 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.96 | 8.36 | -8.43 | 0 | 4 | 0 | 33 | 304.434 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
