| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 21 | Yes |
Popular Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)propan-2-amine (2S)-N-(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) | 3.68 | 8.33 | -48.78 | 2 | 3 | 1 | 35 | 288.342 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.68 | 7.14 | -6.48 | 1 | 3 | 0 | 30 | 287.334 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
