| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 18 | Yes |
Popular Name: [4-(2-aminoethyl)-1,4-diazepan-1-yl]-(1-methylpyrazol-4-yl)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) | -1.75 | 1.43 | -54.98 | 3 | 6 | 1 | 69 | 252.342 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.75 | 3.22 | -128.4 | 4 | 6 | 2 | 70 | 253.35 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.75 | 2.82 | -45.41 | 3 | 6 | 1 | 69 | 252.342 | 3 | ↓ |
