| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 17 | Yes |
Popular Name: N-[(4-bromo-2-thienyl)methyl]-2-[(2R)-2-methylmorpholin-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) | 2.37 | 4.21 | -45.51 | 2 | 3 | 1 | 29 | 320.276 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.37 | 2.86 | -3.43 | 1 | 3 | 0 | 24 | 319.268 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.37 | 5.12 | -38.15 | 2 | 3 | 1 | 26 | 320.276 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.37 | 6.47 | -125.69 | 3 | 3 | 2 | 30 | 321.284 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
