UCSF

ZINC38143012

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 12 Yes

CAS Numbers: 826-39-1 , [60-40-2] , [826-39-1]

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) 2.96 5.22 -0.09 1 1 0 12 167.296 1

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