UCSF

ZINC13414061

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 31 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) 3.39 7.58 -64.49 2 10 -1 146 458.501 8
Mid Mid (pH 6-8) 3.84 5.11 -129.2 1 10 -2 149 457.493 8

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

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