| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2008 | 22 | Yes |
Popular Name: 1-[(S)-(4-ethylphenyl)-(2-pyridyl)methyl]-1,4-diazepane 1-[(S)-(4-ethylphenyl)-(2-pyridy…
| 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) | 2.83 | 8.98 | -28.65 | 2 | 3 | 1 | 29 | 296.438 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.83 | 8.46 | -37.86 | 2 | 3 | 1 | 33 | 296.438 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.83 | 7.38 | -3.75 | 1 | 3 | 0 | 28 | 295.43 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.83 | 8.78 | -87.14 | 3 | 3 | 2 | 34 | 297.446 | 4 | ↓ |
