| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 27th, 2010 | 18 | Yes |
Popular Name: 1-(1,4-diazepan-1-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanone 1-(1,4-diazepan-1-yl)-2-(4-methy…
| 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) | -0.58 | 4.04 | -93.33 | 3 | 5 | 2 | 45 | 256.394 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.58 | 2.14 | -44.62 | 2 | 5 | 1 | 43 | 255.386 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.58 | 2.7 | -35.61 | 2 | 5 | 1 | 40 | 255.386 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.58 | 4.61 | -82.84 | 3 | 5 | 2 | 45 | 256.394 | 2 | ↓ |
