In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2011 | 19 | Yes |
Popular Name: N-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]acetamide N-cyclopropyl-2-[4-(2,2,2-triflu…
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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) | 1.40 | 4.21 | -37.48 | 2 | 4 | 1 | 37 | 280.314 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.40 | 2.34 | -8.93 | 1 | 4 | 0 | 36 | 279.306 | 5 | ↓ |