UCSF

ZINC36690285

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 31 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) 6.39 14.44 -39.96 1 5 1 47 440.633 12
Hi High (pH 8-9.5) 6.39 12.34 -9.8 0 5 0 46 439.625 12

Activity (Go SEA)

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