UCSF

ZINC31964328

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 1.22 1.58 -61.39 5 7 1 104 330.364 6
Hi High (pH 8-9.5) 1.22 1.19 -22.57 4 7 0 103 329.356 6

Activity (Go SEA)

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