UCSF

ZINC31947346

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 1.45 6.35 -63.34 4 5 1 75 293.416 3
Hi High (pH 8-9.5) 1.45 5.98 -13.37 3 5 0 73 292.408 3

Activity (Go SEA)

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