In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 28th, 2008 | 27 | No |
Popular Name: 2-[4-[(E)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetic 2-[4-[(E)-2-cyano-3-[(4-fluoroph…
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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 | 8.47 | -54.42 | 1 | 7 | -1 | 111 | 369.328 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.43 | 6.82 | -90.75 | 0 | 7 | -2 | 118 | 368.32 | 7 | ↓ |