| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 20 | Yes |
Popular Name: 2-[[(1R,2R)-2-amino-1-(4-bromo-2-thienyl)butyl]-ethyl-amino]-N,N-dimethyl-acetamide 2-[[(1R,2R)-2-amino-1-(4-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) | 1.59 | 5.97 | -114.73 | 4 | 4 | 2 | 52 | 364.353 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.59 | 4.57 | -48.68 | 3 | 4 | 1 | 51 | 363.345 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.59 | 4.26 | -6.73 | 2 | 4 | 0 | 50 | 362.337 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.59 | 5.67 | -32.08 | 3 | 4 | 1 | 51 | 363.345 | 7 | ↓ |
