UCSF

ZINC59085772

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 25 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) 5.59 13.04 -36.02 2 3 1 43 346.535 7
Hi High (pH 8-9.5) 5.59 11.91 -3.98 1 3 0 38 345.527 7

Activity (Go SEA)

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