UCSF

ZINC38580971

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 12 Yes

CAS Number: 13548-68-0

Other Names:

MFCD00056162

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) 0.34 -5.17 -6.07 1 6 0 89 184.542 0

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

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