In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 24 | Yes |
Popular Name: 1-[(R)-(2-ethoxyphenyl)-(o-tolyl)methyl]-1,4-diazepane 1-[(R)-(2-ethoxyphenyl)-(o-tolyl…
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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) | 3.87 | 9.99 | -29.09 | 2 | 3 | 1 | 26 | 325.476 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.87 | 9.98 | -39.06 | 2 | 3 | 1 | 29 | 325.476 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.87 | 7.92 | -3.34 | 1 | 3 | 0 | 24 | 324.468 | 5 | ↓ |