| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2011 | 19 | Yes |
Popular Name: (1R)-1-(5-isoquinolyl)-1-(3-methyl-2-thienyl)ethanol (1R)-1-(5-isoquinolyl)-1-(3-meth…
| 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) | 3.02 | 6.22 | -6.72 | 1 | 2 | 0 | 33 | 269.369 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.02 | 6.69 | -34.65 | 2 | 2 | 1 | 34 | 270.377 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
