| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 19 | Yes |
Popular Name: 2-[[(1S,2R)-2-amino-1-(4-bromo-2-thienyl)propyl]-ethyl-amino]-N,N-dimethyl-acetamide 2-[[(1S,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) | 1.05 | 4 | -46.81 | 3 | 4 | 1 | 51 | 349.318 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 3.42 | -6.2 | 2 | 4 | 0 | 50 | 348.31 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 4.98 | -32.22 | 3 | 4 | 1 | 51 | 349.318 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.05 | 5.32 | -120.59 | 4 | 4 | 2 | 52 | 350.326 | 6 | ↓ |
