UCSF

ZINC31932936

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 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) 3.72 8.81 -57.82 3 4 1 54 324.448 5
Mid Mid (pH 6-8) 3.72 9.25 -96.41 4 4 2 55 325.456 5

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