| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: 2-[[(1S)-2-amino-1-(5-chloro-2-thienyl)ethyl]-cyclohexyl-amino]ethanol 2-[[(1S)-2-amino-1-(5-chloro-2-t…
| 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 | 4.57 | -117.47 | 5 | 3 | 2 | 52 | 304.887 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 4.23 | -29.35 | 4 | 3 | 1 | 51 | 303.879 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 2.17 | -3.71 | 3 | 3 | 0 | 49 | 302.871 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 2.76 | -44.13 | 4 | 3 | 1 | 51 | 303.879 | 6 | ↓ |
