In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2009 | 20 | Yes |
Popular Name: (1R)-1-[2-(4-chloro-3,5-dimethyl-phenoxy)-5-fluoro-phenyl]ethanamine (1R)-1-[2-(4-chloro-3,5-dimethyl…
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) | 3.08 | 7.91 | -45.96 | 3 | 2 | 1 | 37 | 294.777 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.08 | 7.58 | -2.95 | 2 | 2 | 0 | 35 | 293.769 | 3 | ↓ |