| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 7th, 2010 | 23 | Yes |
Popular Name: N,N-diethyl-2-[4-[2-(isobutylamino)-2-oxo-ethyl]-1,4-diazepan-1-yl]acetamide N,N-diethyl-2-[4-[2-(isobutylami…
None
None
| 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) | 1.34 | 5.97 | -42.36 | 2 | 6 | 1 | 57 | 327.493 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 5.99 | -43.52 | 2 | 6 | 1 | 57 | 327.493 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 3.96 | -15.16 | 1 | 6 | 0 | 56 | 326.485 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.34 | 7.99 | -118.7 | 3 | 6 | 2 | 58 | 328.501 | 8 | ↓ |
