| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 21 | Yes |
Popular Name: [4-(2-aminoethyl)-1,4-diazepan-1-yl]-(2-hydroxy-3-methoxy-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) | -0.04 | 1.52 | -52.61 | 4 | 6 | 1 | 81 | 294.375 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.04 | 2.54 | -88.27 | 3 | 6 | 0 | 83 | 293.367 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.04 | 3.07 | -122.86 | 5 | 6 | 2 | 82 | 295.383 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.04 | 2.68 | -40.77 | 4 | 6 | 1 | 80 | 294.375 | 4 | ↓ |
