| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: 2-[[(1S,2R)-2-amino-1-(5-chloro-2-thienyl)propyl]-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) | 3.11 | 4.27 | -32.95 | 4 | 3 | 1 | 51 | 317.906 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.10 | 2.38 | -3.46 | 3 | 3 | 0 | 49 | 316.898 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.11 | 3.07 | -49.36 | 4 | 3 | 1 | 51 | 317.906 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.11 | 4.58 | -123.85 | 5 | 3 | 2 | 52 | 318.914 | 6 | ↓ |
