In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 30th, 2009 | 28 | Yes |
Popular Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile 2-[4-(2,3-dihydro-1,4-benzodioxi…
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) | 1.76 | 4.8 | -16.43 | 0 | 7 | 0 | 83 | 399.472 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.76 | 7.08 | -52.81 | 1 | 7 | 1 | 84 | 400.48 | 4 | ↓ |