UCSF

ZINC13428475

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 27 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) 1.05 7.36 -54.08 1 10 -1 131 374.308 4
Mid Mid (pH 6-8) 1.05 7.85 -76.71 2 10 0 132 375.316 4

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

No pre-computed analogs available. Try a structural similarity search.