UCSF

ZINC66001542

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2011 19 No

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) 0.81 2.23 -14.16 1 8 0 110 302.337 5
Hi High (pH 8-9.5) 0.81 1.84 -37 0 8 -1 112 301.329 5

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

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