| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 21 | Yes |
Popular Name: [4-(2-aminoethyl)-1,4-diazepan-1-yl]-(4-isopropylphenyl)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) | 1.38 | 5.59 | -49.74 | 3 | 4 | 1 | 51 | 290.431 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.38 | 7.38 | -123.09 | 4 | 4 | 2 | 52 | 291.439 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.38 | 6.98 | -39.31 | 3 | 4 | 1 | 51 | 290.431 | 4 | ↓ |
