UCSF

ZINC71791081

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2012 19 Yes

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) 2.25 5.56 -47.51 3 4 1 55 260.361 3
Lo Low (pH 4.5-6) 2.25 6.01 -92.46 4 4 2 56 261.369 3

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

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