UCSF

ZINC31792905

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 28 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) 1.58 7.16 -16.7 0 8 0 76 398.492 5
Mid Mid (pH 6-8) 1.58 9.37 -57.27 1 8 1 77 399.5 5

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