UCSF

ZINC52870114

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 28 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) 1.73 8.64 -50.45 4 8 1 106 388.492 9
Hi High (pH 8-9.5) 1.73 6.66 -15.46 3 8 0 104 387.484 9

Activity (Go SEA)

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