UCSF

ZINC54706282

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 23 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) 3.62 5.06 -9.54 2 4 0 53 375.266 3
Lo Low (pH 4.5-6) 3.62 6.23 -51.43 3 4 1 54 376.274 3

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

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