| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2010 | 23 | Yes |
Popular Name: 2-[4-[2-(cyclopentylamino)-2-oxo-ethyl]-1,4-diazepan-1-yl]-N-isopropyl-acetamide 2-[4-[2-(cyclopentylamino)-2-oxo…
| 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) | 1.79 | 4.47 | -43.4 | 3 | 6 | 1 | 66 | 325.477 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.79 | 2.45 | -15.32 | 2 | 6 | 0 | 65 | 324.469 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.79 | 4.46 | -42.74 | 3 | 6 | 1 | 66 | 325.477 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.79 | 6.47 | -118.32 | 4 | 6 | 2 | 67 | 326.485 | 6 | ↓ |
