UCSF

ZINC22673130

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 24 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) 3.87 8.23 -46.08 3 4 1 69 360.528 3
Hi High (pH 8-9.5) 3.87 7.19 -9.96 2 4 0 65 359.52 3

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

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