UCSF

ZINC34529235

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 34 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) 5.78 10.39 -101.22 6 5 2 87 463.666 10
Hi High (pH 8-9.5) 5.78 9.89 -47.41 5 5 1 85 462.658 10

Activity (Go SEA)

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