| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: 2-[[(1S,2R)-2-amino-1-(5-chloro-2-thienyl)butyl]-butyl-amino]acetamide 2-[[(1S,2R)-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) | 2.54 | 4.34 | -127.86 | 6 | 4 | 2 | 75 | 319.902 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | 2.37 | -6.26 | 4 | 4 | 0 | 72 | 317.886 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | 2.7 | -39.37 | 5 | 4 | 1 | 74 | 318.894 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.54 | 4.01 | -37.17 | 5 | 4 | 1 | 74 | 318.894 | 9 | ↓ |
