UCSF

ZINC23038253

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 27 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) 5.16 10.32 -50.95 2 4 1 43 381.418 9
Hi High (pH 8-9.5) 5.16 8.11 -12.55 1 4 0 42 380.41 9

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

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