UCSF

ZINC49392313

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 3.68 10.38 -37 1 2 1 9 324.217 2
Mid Mid (pH 6-8) 3.68 8.26 -4.9 0 2 0 8 323.209 2

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

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