| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 18 | Yes |
Popular Name: N-[(4-bromo-2-thienyl)methyl]-2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]ethanamine N-[(4-bromo-2-thienyl)methyl]-2-…
| 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) | 2.70 | 4.81 | -45.91 | 2 | 3 | 1 | 29 | 334.303 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 3.45 | -3.33 | 1 | 3 | 0 | 24 | 333.295 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.70 | 5.65 | -36.11 | 2 | 3 | 1 | 26 | 334.303 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.70 | 7 | -124.1 | 3 | 3 | 2 | 30 | 335.311 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
