| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2011 | 19 | Yes |
Popular Name: 1-[(3-fluoro-4-isopropoxy-phenyl)methyl]-1,4-diazepane 1-[(3-fluoro-4-isopropoxy-phenyl…
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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) | 2.19 | 6.13 | -38.85 | 2 | 3 | 1 | 26 | 267.368 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.19 | 7.38 | -122.3 | 3 | 3 | 2 | 30 | 268.376 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.19 | 5.3 | -41.98 | 2 | 3 | 1 | 29 | 267.368 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
