In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2009 | 20 | Yes |
Popular Name: 2-[(1S)-1-aminoethyl]-N-[(2,4-difluorophenyl)methyl]thiazole-4-carboxamide 2-[(1S)-1-aminoethyl]-N-[(2,4-di…
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) | -0.45 | 2.38 | -54.62 | 4 | 4 | 1 | 70 | 298.338 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.45 | 2.05 | -8.6 | 3 | 4 | 0 | 68 | 297.33 | 4 | ↓ |