UCSF

ZINC43502620

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 Yes

CAS Numbers: 115363-11-6 , 168618-44-8

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) 3.66 9.02 -49.28 0 2 -1 40 211.24 2

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