| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 4th, 2010 | 19 | Yes |
Popular Name: (1S)-1-(5-bromo-2-thienyl)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-methyl-methanamine (1S)-1-(5-bromo-2-thienyl)-1-[(3…
| 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) | 3.66 | 7.01 | -45.31 | 2 | 3 | 1 | 35 | 341.25 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.66 | 5.83 | -6.13 | 1 | 3 | 0 | 30 | 340.242 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
