In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 13th, 2010 | 22 | Yes |
Popular Name: 1,3-benzodioxol-5-yl-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone 1,3-benzodioxol-5-yl-[4-(2-metho…
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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) | 0.94 | 5.98 | -41.71 | 1 | 6 | 1 | 52 | 307.37 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.94 | 4.04 | -11.31 | 0 | 6 | 0 | 51 | 306.362 | 4 | ↓ |