UCSF

ZINC04942485

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 26 No

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) 3.96 8.03 -13.36 1 5 0 66 350.349 3
Hi High (pH 8-9.5) 3.96 8.81 -49.18 0 5 -1 69 349.341 3

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

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