UCSF

ZINC49424207

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 17 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) 0.50 6.1 -29.17 1 5 0 67 294.108 2
Mid Mid (pH 6-8) 0.56 5.35 -74.56 0 5 -1 74 293.1 2

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

No pre-computed analogs available. Try a structural similarity search.