| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: 2-[[(1S,2R)-2-amino-1-(5-chloro-2-thienyl)butyl]-(2-hydroxyethyl)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) | 1.10 | 0.13 | -31.42 | 5 | 4 | 1 | 71 | 293.84 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | -1.02 | -46.21 | 5 | 4 | 1 | 71 | 293.84 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | -1.32 | -4.02 | 4 | 4 | 0 | 70 | 292.832 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.10 | 0.44 | -107.65 | 6 | 4 | 2 | 73 | 294.848 | 8 | ↓ |
