UCSF

ZINC85210246

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2013 10 Yes

CAS Number: 68-94-0

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) -0.66 -1.33 -12.72 1 5 0 67 136.114 0
Mid Mid (pH 6-8) -0.60 -4.01 -41.37 0 5 -1 74 135.106 0

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

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