| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2011 | 19 | Yes |
Popular Name: (1R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(3-methyl-2-thienyl)ethanamine (1R)-N-(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) | 3.60 | 7.08 | -38.45 | 2 | 3 | 1 | 35 | 276.381 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.60 | 5.89 | -7.78 | 1 | 3 | 0 | 30 | 275.373 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
