| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 20 | Yes |
Popular Name: [4-(2-aminoethyl)-1,4-diazepan-1-yl]-(3-hydroxy-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) | 0.24 | 1.56 | -51.77 | 4 | 5 | 1 | 71 | 278.376 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.24 | 3.35 | -125.42 | 5 | 5 | 2 | 73 | 279.384 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.24 | 2.96 | -41.36 | 4 | 5 | 1 | 71 | 278.376 | 3 | ↓ |
