| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: 2-[1-[(1R,2S)-2-amino-1-(5-chloro-2-thienyl)butyl]-4-piperidyl]acetamide 2-[1-[(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) | 2.33 | 3.08 | -50.1 | 5 | 4 | 1 | 74 | 330.905 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.33 | 2.8 | -7.72 | 4 | 4 | 0 | 72 | 329.897 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.33 | 4.5 | -39.33 | 5 | 4 | 1 | 74 | 330.905 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.33 | 4.79 | -123.29 | 6 | 4 | 2 | 75 | 331.913 | 6 | ↓ |
