UCSF

ZINC42390283

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 16 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) 2.61 5.46 -41.99 2 2 1 20 239.408 5
Hi High (pH 8-9.5) 2.61 6.36 -30.57 2 2 1 16 239.408 5
Lo Low (pH 4.5-6) 2.61 7.77 -110.22 3 2 2 21 240.416 5

Activity (Go SEA)

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