| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 18 | Yes |
Popular Name: (1S,2S,4R)-2-[[(4-bromo-2-thienyl)methyl-methyl-amino]methyl]-4-methyl-cyclohexanol (1S,2S,4R)-2-[[(4-bromo-2-thieny…
| 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) | 3.52 | 7.63 | -37.84 | 2 | 2 | 1 | 25 | 333.315 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.52 | 5.61 | -2.95 | 1 | 2 | 0 | 23 | 332.307 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
