In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 24 | Yes |
Popular Name: (2S)-1-[2-(4-bromo-2,6-difluoro-phenoxy)ethoxy]-3-(cyclohexylamino)propan-2-ol (2S)-1-[2-(4-bromo-2,6-difluoro-…
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) | 3.92 | 6.22 | -41.1 | 3 | 4 | 1 | 55 | 409.291 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.92 | 5 | -6.95 | 2 | 4 | 0 | 51 | 408.283 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.65 | 11.24 | -47.98 | 2 | 5 | 1 | 51 | 395.502 | 8 | ↓ |