UCSF

ZINC38299095

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2010 19 No

CAS Numbers: 115-28-6 , [115-28-6]

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) 3.04 8.66 -94.47 0 4 -2 80 386.829 2

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