UCSF

ZINC13533920

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 14 Yes

CAS Numbers: 576-42-1 , [576-42-1]

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) -3.34 -5.32 -99.81 4 8 -2 161 208.122 5

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