| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 16 | Yes |
Popular Name: 2-[[(1R,2R)-2-amino-1-(5-bromo-2-thienyl)butyl]-methyl-amino]ethanol 2-[[(1R,2R)-2-amino-1-(5-bromo-2…
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| 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) | 1.87 | 3.31 | -113.34 | 5 | 3 | 2 | 52 | 309.273 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.87 | 0.62 | -3.5 | 3 | 3 | 0 | 49 | 307.257 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.87 | 0.95 | -41.95 | 4 | 3 | 1 | 51 | 308.265 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.87 | 2.98 | -36.35 | 4 | 3 | 1 | 51 | 308.265 | 6 | ↓ |
