| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 26 | Yes |
Popular Name: N-[3-(isopropoxymethyl)phenyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide N-[3-(isopropoxymethyl)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) | 3.45 | 8.3 | -9.49 | 1 | 5 | 0 | 45 | 373.419 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.45 | 9.54 | -50.74 | 2 | 5 | 1 | 46 | 374.427 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
