UCSF

ZINC59919189

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 23 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) 3.32 10.35 -34.45 2 4 0 57 350.768 6
Hi High (pH 8-9.5) 3.32 8.13 -41.2 1 4 -1 55 349.76 6

Activity (Go SEA)

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