In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2008 | 33 | Yes |
Popular Name: N-[4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]thiazol-2-yl]benzamide N-[4-[2-[4-(1,3-benzodioxol-5-yl…
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) | 2.83 | 7.79 | -21.16 | 1 | 8 | 0 | 84 | 464.547 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.90 | 6.88 | -58.48 | 0 | 8 | -1 | 90 | 463.539 | 6 | ↓ |