| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2008 | 26 | Yes |
Popular Name: 1-[phenyl(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane 1-[phenyl(3,4,5-trimethoxyphenyl…
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CAS Number: 506409-22-9
| 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) | 2.72 | 8.01 | -38.06 | 2 | 5 | 1 | 44 | 357.474 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.72 | 6.56 | -7.19 | 1 | 5 | 0 | 43 | 356.466 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.72 | 7.85 | -48.88 | 2 | 5 | 1 | 48 | 357.474 | 6 | ↓ |
