| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 21 | Yes |
Popular Name: (3S)-3-(1,3-benzodioxol-4-ylmethylamino)-3-phenyl-propanenitrile (3S)-3-(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) | 1.50 | 6.65 | -9.99 | 1 | 4 | 0 | 54 | 280.327 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.50 | 7.9 | -47.47 | 2 | 4 | 1 | 59 | 281.335 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
