| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | Yes |
Popular Name: 2-[[(1S)-2-amino-1-(5-chloro-2-thienyl)ethyl]-(1-ethylpropyl)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) | 2.54 | 3.55 | -27.35 | 4 | 3 | 1 | 51 | 291.868 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | 2.2 | -2.06 | 3 | 3 | 0 | 49 | 290.86 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.54 | 2.33 | -43.9 | 4 | 3 | 1 | 51 | 291.868 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.54 | 3.33 | -117.15 | 5 | 3 | 2 | 52 | 292.876 | 8 | ↓ |
