UCSF

ZINC39267657

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 31 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) 3.44 10.72 -16 4 8 0 105 422.533 6
Mid Mid (pH 6-8) 3.44 11.35 -29.46 5 8 1 107 423.541 6
Mid Mid (pH 6-8) 3.44 10.32 -32.59 5 8 1 107 423.541 6

Activity (Go SEA)

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