UCSF

ZINC62038572

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.60 5.78 -18.68 3 8 0 121 467.956 7
Mid Mid (pH 6-8) 5.05 4.56 -41.86 2 8 -1 124 466.948 7

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

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