| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 22 | Yes |
Popular Name: 1,3-benzodioxol-5-yl-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone 1,3-benzodioxol-5-yl-[4-[(2R)-2-…
| 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) | 0.92 | 1.69 | -11.14 | 1 | 6 | 0 | 62 | 306.362 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.92 | 3.88 | -49.98 | 2 | 6 | 1 | 63 | 307.37 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
