| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 19 | Yes |
Popular Name: (1S)-N-(1,3-benzodioxol-4-ylmethyl)-1-(2-thienyl)propan-1-amine (1S)-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) | 3.72 | 7.4 | -34.26 | 2 | 3 | 1 | 35 | 276.381 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.72 | 5.96 | -6.69 | 1 | 3 | 0 | 30 | 275.373 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
