UCSF

ZINC53659446

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 2.31 8.05 -95.11 3 3 2 30 256.434 6
Hi High (pH 8-9.5) 2.31 5.76 -38.77 2 3 1 29 255.426 6

Activity (Go SEA)

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