| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 21 | Yes |
Popular Name: (1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-fluorophenyl)ethanol (1S)-2-(1,3-benzodioxol-5-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) | 2.34 | 3.3 | -8.43 | 2 | 4 | 0 | 51 | 289.306 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.34 | 4.65 | -54.45 | 3 | 4 | 1 | 55 | 290.314 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
