| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 1st, 2011 | 24 | Yes |
Popular Name: N-(2-chloro-4-methoxy-phenyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide N-(2-chloro-4-methoxy-phenyl)-4-…
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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) | 3.44 | 6.7 | -7.38 | 1 | 5 | 0 | 45 | 365.783 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.44 | 7.99 | -49.56 | 2 | 5 | 1 | 46 | 366.791 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
