In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 19th, 2010 | 19 | Yes |
Popular Name: 4-bromo-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1H-pyrrole-2-carboxamide 4-bromo-N-[3-[methyl(2,2,2-trifl…
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) | 2.25 | 5.16 | -52.71 | 3 | 4 | 1 | 49 | 343.167 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.25 | 2.98 | -11.68 | 2 | 4 | 0 | 48 | 342.159 | 7 | ↓ |