| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 20 | Yes |
Popular Name: [4-(2-aminoethyl)-1,4-diazepan-1-yl]-(3-fluoro-4-methyl-phenyl)methanone [4-(2-aminoethyl)-1,4-diazepan-1…
| 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) | 0.41 | 4.38 | -51.96 | 3 | 4 | 1 | 51 | 280.367 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.41 | 6.17 | -126.31 | 4 | 4 | 2 | 52 | 281.375 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.41 | 5.78 | -42.69 | 3 | 4 | 1 | 51 | 280.367 | 3 | ↓ |
