UCSF

ZINC31978219

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) 2.23 2.99 -5.28 2 4 0 48 284.787 5
Mid Mid (pH 6-8) 2.23 5.39 -41.4 3 4 1 49 285.795 5

Activity (Go SEA)

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