UCSF

ZINC52697039

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2010 20 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) 4.35 9.77 -41.09 2 2 1 26 270.396 5
Hi High (pH 8-9.5) 4.35 8.33 -4.49 1 2 0 21 269.388 5

Activity (Go SEA)

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