| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: 2-[[(1R,2R)-2-amino-1-(5-bromo-2-thienyl)butyl]-propyl-amino]-N-methyl-acetamide 2-[[(1R,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) | 2.98 | 4.95 | -118.02 | 5 | 4 | 2 | 61 | 364.353 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.98 | 3.66 | -50.02 | 4 | 4 | 1 | 60 | 363.345 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.98 | 3.34 | -6.02 | 3 | 4 | 0 | 58 | 362.337 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.98 | 4.66 | -33.92 | 4 | 4 | 1 | 60 | 363.345 | 8 | ↓ |
