| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2008 | 18 | Yes |
Popular Name: 1-[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]-1,4-diazepane 1-[(4-methoxy-3,5-dimethyl-2-pyr…
| 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) | 1.34 | 4.09 | -33.65 | 2 | 4 | 1 | 39 | 250.366 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.34 | 3.65 | -40.75 | 2 | 4 | 1 | 42 | 250.366 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.34 | 3.45 | -88.45 | 3 | 4 | 2 | 43 | 251.374 | 3 | ↓ |
