UCSF

ZINC39267302

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 38 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) 5.49 12.33 -11.89 2 6 0 65 506.65 7
Mid Mid (pH 6-8) 5.49 14.55 -57.61 3 6 1 66 507.658 7

Activity (Go SEA)

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