| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: 2-[[(1S,2R)-2-amino-1-(5-bromo-2-thienyl)butyl]-propyl-amino]-N,N-dimethyl-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) | 2.29 | 7.05 | -128.85 | 4 | 4 | 2 | 52 | 378.38 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 5.43 | -57.07 | 3 | 4 | 1 | 51 | 377.372 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 5.13 | -9 | 2 | 4 | 0 | 50 | 376.364 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 6.77 | -39.08 | 3 | 4 | 1 | 51 | 377.372 | 8 | ↓ |
