UCSF

ZINC54687697

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 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) 4.54 8.72 -2.98 1 1 0 12 292.209 2
Lo Low (pH 4.5-6) 4.54 9.99 -41.67 2 1 1 17 293.217 2

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

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