UCSF

ZINC08792568

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 36 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) 4.68 11.92 -20.05 1 7 0 82 483.568 10
Lo Low (pH 4.5-6) 4.68 12.2 -52.33 2 7 1 83 484.576 10

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

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