| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | Yes |
Popular Name: 1-[(2S,3R)-2-(5-bromo-2-thienyl)-1-methyl-3-piperidyl]-N-methyl-methanamine 1-[(2S,3R)-2-(5-bromo-2-thienyl)…
| 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) | 3.31 | 5.43 | -40.14 | 2 | 2 | 1 | 20 | 304.277 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.31 | 7.73 | -99.77 | 3 | 2 | 2 | 21 | 305.285 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
