UCSF

ZINC22714517

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 20 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) -0.76 -1.31 -9.37 2 7 0 84 281.312 5
Lo Low (pH 4.5-6) -0.76 0.78 -41.85 3 7 1 85 282.32 5

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

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