UCSF

ZINC22679136

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 29 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) 2.43 5.99 -53.71 3 7 1 89 420.555 10
Hi High (pH 8-9.5) 2.43 3.95 -17.25 2 7 0 88 419.547 10

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

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