UCSF

ZINC54697895

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 14 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) -0.93 3.78 -46 3 4 1 58 195.29 3
Hi High (pH 8-9.5) -0.93 3.47 -7.82 2 4 0 57 194.282 3

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

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