| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2010 | 19 | Yes |
Popular Name: 2-(1,4-diazepan-1-yl)-1-(2,4,5-trimethylphenyl)ethanone 2-(1,4-diazepan-1-yl)-1-(2,4,5-t…
| 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) | 2.26 | 6.62 | -41.59 | 2 | 3 | 1 | 37 | 261.389 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.26 | 8.61 | -118.58 | 3 | 3 | 2 | 38 | 262.397 | 3 | ↓ |
