UCSF

ZINC40808276

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 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) 2.09 9.41 -46.27 2 5 1 54 348.492 4
Mid Mid (pH 6-8) 2.27 5.98 -44.64 1 5 0 60 347.484 4

Activity (Go SEA)

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