UCSF

ZINC39827762

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2010 35 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) 4.43 9.42 -54.4 0 7 -1 82 497.999 10
Mid Mid (pH 6-8) 4.43 11.68 -69.33 1 7 0 83 499.007 10
Lo Low (pH 4.5-6) 4.43 10.93 -54.2 2 7 1 81 500.015 10

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