| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: 2-[[(1S,2R)-2-amino-1-(5-bromo-2-thienyl)butyl]-butyl-amino]acetamide 2-[[(1S,2R)-2-amino-1-(5-bromo-2…
| 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) | 2.67 | 4.44 | -107.58 | 6 | 4 | 2 | 75 | 364.353 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.67 | 2.38 | -8.66 | 4 | 4 | 0 | 72 | 362.337 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.67 | 2.66 | -55.14 | 5 | 4 | 1 | 74 | 363.345 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.67 | 4.14 | -33.2 | 5 | 4 | 1 | 74 | 363.345 | 9 | ↓ |
