UCSF

ZINC21992364

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 22 No

CAS Number: 68786-66-3

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) 5.64 7.99 -9.36 1 3 0 34 373.692 3
Lo Low (pH 4.5-6) 5.64 8.38 -44.69 2 3 1 35 374.7 3
Lo Low (pH 4.5-6) 5.64 8.38 -46.13 2 3 1 35 374.7 3

Vendor Notes

Note Type Comments Provided By
Purity 98.5%min APIChem

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

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