UCSF

ZINC31502679

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 24 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) 0.98 2.5 -11.7 2 7 0 96 341.404 8
Mid Mid (pH 6-8) 0.98 5.26 -45.54 3 7 1 98 342.412 8

Activity (Go SEA)

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