| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2010 | 20 | Yes |
Popular Name: (1R)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-(2-thienyl)propan-1-amine (1R)-N-[(7-chloro-1,3-benzodioxo…
| 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) | 4.35 | 7.92 | -44.16 | 2 | 3 | 1 | 35 | 310.826 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.35 | 6.52 | -6.8 | 1 | 3 | 0 | 30 | 309.818 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
