| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: 2-[[(1S,2R)-2-amino-1-(5-chloro-2-thienyl)butyl]-cyclohexyl-amino]ethanol 2-[[(1S,2R)-2-amino-1-(5-chloro-…
| 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) | 3.64 | 4.86 | -29.81 | 4 | 3 | 1 | 51 | 331.933 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.64 | 3.99 | -46.51 | 4 | 3 | 1 | 51 | 331.933 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.64 | 3.64 | -2.35 | 3 | 3 | 0 | 49 | 330.925 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.64 | 5.17 | -117.25 | 5 | 3 | 2 | 52 | 332.941 | 7 | ↓ |
