In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 2009 | 32 | Yes |
Popular Name: 2-[[1,3-benzodioxol-5-ylmethyl(p-tolylmethyl)amino]methyl]-N-isobutyl-thiazole-4-carboxamide 2-[[1,3-benzodioxol-5-ylmethyl(p…
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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) | 4.09 | 8.42 | -15.28 | 1 | 6 | 0 | 64 | 451.592 | 9 | ↓ |
Lo Low (pH 4.5-6) | 4.09 | 10.56 | -58.84 | 2 | 6 | 1 | 65 | 452.6 | 9 | ↓ |