| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2011 | 18 | Yes |
Popular Name: 2-[1,4]Diazepan-1-yl-1-(4-ethyl-piperazin-1-yl)-ethanone 2-[1,4]Diazepan-1-yl-1-(4-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) | -0.47 | 4.56 | -96.02 | 3 | 5 | 2 | 41 | 256.394 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.47 | 2.35 | -38.7 | 2 | 5 | 1 | 40 | 255.386 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.47 | 3.89 | -88.43 | 3 | 5 | 2 | 45 | 256.394 | 3 | ↓ |
