| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 24 | Yes |
Popular Name: 1,3-benzodioxol-4-yl-[4-[(2S)-2-hydroxy-3,3-dimethyl-butyl]piperazin-1-yl]methanone 1,3-benzodioxol-4-yl-[4-[(2S)-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) | 2.27 | 2.92 | -13.33 | 1 | 6 | 0 | 62 | 334.416 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.27 | 5.09 | -49.08 | 2 | 6 | 1 | 63 | 335.424 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
