| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 1st, 2009 | 18 | Yes |
Popular Name: 1-methyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane 1-methyl-4-[5-(trifluoromethyl)-…
| 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) | 2.20 | 7.18 | -38.45 | 1 | 3 | 1 | 21 | 260.283 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.20 | 5.14 | -3.82 | 0 | 3 | 0 | 19 | 259.275 | 2 | ↓ |
