| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2011 | 20 | Yes |
Popular Name: (4-ethyl-1,4-diazepan-1-yl)-(2-ethylsulfanyl-4-pyridyl)methanone (4-ethyl-1,4-diazepan-1-yl)-(2-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) | 1.47 | 8.4 | -41.84 | 1 | 4 | 1 | 38 | 294.444 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.47 | 6.55 | -9.73 | 0 | 4 | 0 | 36 | 293.436 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
