| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2010 | 22 | Yes |
Popular Name: 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]propan-1-ol 3-[4-[3-chloro-5-(trifluoromethy…
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| 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) | 2.45 | 6.84 | -36.9 | 2 | 4 | 1 | 41 | 338.781 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.45 | 5.05 | -4.33 | 1 | 4 | 0 | 40 | 337.773 | 5 | ↓ |
