UCSF

ZINC71789463

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 19 No

CAS Numbers: 446-86-6 , [446-86-6]

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) -0.44 8.66 -29.87 1 9 0 118 259.229 3
Lo Low (pH 4.5-6) -0.44 9.3 -44.6 2 9 1 119 260.237 3

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

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