UCSF

ZINC24682015

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2009 21 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) 1.47 0.75 -11.2 1 5 0 59 320.361 5
Mid Mid (pH 6-8) 1.47 3.11 -49.57 2 5 1 60 321.369 5

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