| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: 2-[[(1S,2R)-2-amino-1-(5-bromo-2-thienyl)propyl]-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) | 2.13 | 1.98 | -40.11 | 5 | 4 | 1 | 74 | 349.318 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.13 | 3.3 | -37.21 | 5 | 4 | 1 | 74 | 349.318 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.13 | 2.38 | -5.35 | 4 | 4 | 0 | 72 | 348.31 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.13 | 3.55 | -116.43 | 6 | 4 | 2 | 75 | 350.326 | 8 | ↓ |
