UCSF

ZINC48575097

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 18 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) 0.52 2.52 -46.29 4 5 1 77 256.37 7
Hi High (pH 8-9.5) 0.52 0.34 -15.32 3 5 0 75 255.362 7

Activity (Go SEA)

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