| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 18 | Yes |
Popular Name: (4-ethyl-1,4-diazepan-1-yl)-(3-ethyl-2-thienyl)methanone (4-ethyl-1,4-diazepan-1-yl)-(3-e…
| 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) | 2.65 | 8.3 | -44.55 | 1 | 3 | 1 | 25 | 267.418 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.65 | 6.49 | -7.25 | 0 | 3 | 0 | 24 | 266.41 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
