UCSF

ZINC39906936

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 7.55 15.15 -14.52 0 4 0 36 448.994 9
Lo Low (pH 4.5-6) 7.55 15.55 -31.62 1 4 1 38 450.002 9

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