| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: 2-[4-[(1R,2S)-2-amino-1-(5-chloro-2-thienyl)butyl]piperazin-1-yl]ethanol 2-[4-[(1R,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 | 2.01 | -34.92 | 4 | 4 | 1 | 54 | 318.894 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 0.21 | -3.35 | 3 | 4 | 0 | 53 | 317.886 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.63 | 0.57 | -46.3 | 4 | 4 | 1 | 54 | 318.894 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.63 | 2.3 | -118.81 | 5 | 4 | 2 | 56 | 319.902 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.63 | 2.87 | -98.7 | 5 | 4 | 2 | 56 | 319.902 | 6 | ↓ |
