UCSF

ZINC20569946

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 31 No

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Physical Representations

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) 3.38 4.2 -46.65 2 8 -1 127 454.871 5
Hi High (pH 8-9.5) 3.84 2.43 -92.82 1 8 -2 130 453.863 5
Mid Mid (pH 6-8) 3.38 4.2 -14.58 3 8 0 125 455.879 5

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Analogs ( Draw Identity 99% 90% 80% 70% )