UCSF

ZINC72187405

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2012 22 No

CAS Number: [31166-44-6]

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) 2.60 8.37 -49.24 2 4 1 46 295.362 2
Mid Mid (pH 6-8) 2.60 7.07 -9.83 1 4 0 42 294.354 2

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

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