UCSF

ZINC19946433

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.32 4.39 -43.39 3 4 1 46 258.345 2
Mid Mid (pH 6-8) 1.32 5.47 -114.29 4 4 2 50 259.353 2

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