| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 18 | Yes |
Popular Name: 2-[[(1S,2R)-2-amino-1-(4-bromo-2-thienyl)propyl]-methyl-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) | 0.68 | 3.25 | -47.96 | 3 | 4 | 1 | 51 | 335.291 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | 2.5 | -7 | 2 | 4 | 0 | 50 | 334.283 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.68 | 4.97 | -119.23 | 4 | 4 | 2 | 52 | 336.299 | 5 | ↓ |
