| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: 2-[[(1R,2S)-2-amino-1-(5-chloro-2-thienyl)butyl]-isobutyl-amino]acetamide 2-[[(1R,2S)-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) | 2.22 | 4.31 | -128.25 | 6 | 4 | 2 | 75 | 319.902 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.22 | 2.76 | -56.54 | 5 | 4 | 1 | 74 | 318.894 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.22 | 2.21 | -7.45 | 4 | 4 | 0 | 72 | 317.886 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 4.01 | -40.93 | 5 | 4 | 1 | 74 | 318.894 | 8 | ↓ |
