| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 16 | Yes |
Popular Name: 2-[[(1S,2R)-2-amino-1-(5-chloro-2-thienyl)butyl]-methyl-amino]ethanol 2-[[(1S,2R)-2-amino-1-(5-chloro-…
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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) | 1.74 | 2.99 | -114.49 | 5 | 3 | 2 | 52 | 264.822 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 0.8 | -3.01 | 3 | 3 | 0 | 49 | 262.806 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 1.13 | -44.11 | 4 | 3 | 1 | 51 | 263.814 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 2.69 | -35.02 | 4 | 3 | 1 | 51 | 263.814 | 6 | ↓ |
