| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: 2-[4-[(1S,2S)-2-amino-1-(5-chloro-2-thienyl)butyl]piperazin-1-yl]ethanol 2-[4-[(1S,2S)-2-amino-1-(5-chlor…
| 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) | 1.63 | 2.2 | -35.64 | 4 | 4 | 1 | 54 | 318.894 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | -0.31 | -4.94 | 3 | 4 | 0 | 53 | 317.886 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.63 | -0 | -45.94 | 4 | 4 | 1 | 54 | 318.894 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.63 | 2.51 | -119.07 | 5 | 4 | 2 | 56 | 319.902 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.63 | 2.32 | -95.92 | 5 | 4 | 2 | 56 | 319.902 | 6 | ↓ |
