UCSF

ZINC54931766

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 10 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.88 1.32 -44.36 2 3 1 42 174.274 2
Hi High (pH 8-9.5) 0.88 -0.37 -6.97 1 3 0 38 173.266 2

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

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