UCSF

ZINC39675677

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.49 9.05 -122.92 4 7 2 83 472.033 6
Hi High (pH 8-9.5) 1.49 5.91 -62.39 3 7 1 82 471.025 6

Activity (Go SEA)

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