| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 15 | Yes |
Popular Name: [(2R,3R)-2-(5-bromo-2-thienyl)-1-methyl-3-piperidyl]methanamine [(2R,3R)-2-(5-bromo-2-thienyl)-1…
| 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) | 2.33 | 3.77 | -42.11 | 3 | 2 | 1 | 31 | 290.25 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.33 | 5.75 | -105.74 | 4 | 2 | 2 | 32 | 291.258 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
