In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2010 | 21 | Yes |
Popular Name: 2-[butyl-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]amino]acetamide 2-[butyl-[(5-chloro-2,3-dihydro-…
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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) | 2.22 | 5.17 | -45.83 | 3 | 5 | 1 | 66 | 313.805 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.22 | 3.22 | -11.66 | 2 | 5 | 0 | 65 | 312.797 | 7 | ↓ |