UCSF

ZINC39228662

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 35 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) 5.35 12.08 -50.05 3 7 1 92 485.951 4
Mid Mid (pH 6-8) 5.35 10.53 -15.9 2 7 0 90 484.943 4

Activity (Go SEA)

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