| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 20 | Yes |
Popular Name: (1S)-N-(1,3-benzodioxol-4-ylmethyl)-1-(2-thienyl)butan-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) | 4.28 | 8.16 | -35.07 | 2 | 3 | 1 | 35 | 290.408 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.28 | 6.74 | -6.65 | 1 | 3 | 0 | 30 | 289.4 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
