UCSF

ZINC20542260

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 22 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) 5.23 12.54 -38.84 2 1 1 17 288.414 5
Mid Mid (pH 6-8) 5.23 11.42 -3.95 1 1 0 12 287.406 5

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