| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2009 | 26 | Yes |
Popular Name: 3-[4-(2-diethylamino-2-oxo-ethyl)-1,4-diazepan-1-yl]-N-phenyl-propanamide 3-[4-(2-diethylamino-2-oxo-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) | 1.68 | 9.98 | -127.03 | 3 | 6 | 2 | 58 | 362.518 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 7.75 | -53.28 | 2 | 6 | 1 | 57 | 361.51 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 6 | -13.52 | 1 | 6 | 0 | 56 | 360.502 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.68 | 8.03 | -44.11 | 2 | 6 | 1 | 57 | 361.51 | 8 | ↓ |
