| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 20 | Yes |
Popular Name: (3S)-3-[(3-bromo-4-fluoro-phenyl)methylamino]-3-(2-thienyl)propanoic (3S)-3-[(3-bromo-4-fluoro-phenyl…
| 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) | 3.39 | 9.03 | -50.66 | 2 | 3 | 0 | 57 | 358.232 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 7.81 | -44.01 | 1 | 3 | -1 | 52 | 357.224 | 6 | ↓ |
