In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2011 | 27 | Yes |
Popular Name: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thienyl]-(4-isobutylpiperazin-1-yl)methanone [5-(2,3-dihydro-1,4-benzodioxin-…
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) | 3.72 | 8.35 | -9.74 | 0 | 5 | 0 | 42 | 386.517 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.72 | 10.24 | -45.01 | 1 | 5 | 1 | 43 | 387.525 | 4 | ↓ |