| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 20 | Yes |
Popular Name: (1S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)ethanamine (1S)-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) | 4.02 | 8.2 | -53.02 | 2 | 3 | 1 | 35 | 290.77 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.02 | 6.91 | -6.44 | 1 | 3 | 0 | 30 | 289.762 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
