UCSF

ZINC72179967

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2012 40 No

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) 4.72 10.25 -66.01 4 8 1 108 567.776 10
Hi High (pH 8-9.5) 4.72 9.07 -20.77 3 8 0 104 566.768 10

Activity (Go SEA)

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