In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 32 | Yes |
Popular Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-benzyl-thiazole-4-carboxamide 2-[[4-(1,3-benzodioxol-5-ylmethy…
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) | 2.42 | 7.2 | -53.33 | 2 | 7 | 1 | 68 | 451.572 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.42 | 4.95 | -12.29 | 1 | 7 | 0 | 67 | 450.564 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.42 | 7.21 | -50.37 | 2 | 7 | 1 | 68 | 451.572 | 7 | ↓ |