| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 22 | Yes |
Popular Name: (2R)-2-[1,3-benzodioxol-4-ylmethyl(2-thienylmethyl)amino]butan-1-ol (2R)-2-[1,3-benzodioxol-4-ylmeth…
| 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) | 3.14 | 6.62 | -35.31 | 2 | 4 | 1 | 43 | 320.434 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.14 | 3.76 | -8.16 | 1 | 4 | 0 | 42 | 319.426 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
