| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2011 | 20 | Yes |
Popular Name: (1S)-N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-1-(3-methyl-2-thienyl)ethanamine (1S)-N-[(1R)-1-(1,3-benzodioxol-…
| 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) | 4.18 | 7.72 | -42.42 | 2 | 3 | 1 | 35 | 290.408 | 4 | ↓ |
| Mid Mid (pH 6-8) | 4.18 | 6.81 | -5.44 | 1 | 3 | 0 | 30 | 289.4 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
