UCSF

ZINC39695857

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 37 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) 2.68 9.68 -51.7 4 8 1 108 497.623 4
Lo Low (pH 4.5-6) 2.68 10.11 -105.92 5 8 2 109 498.631 4

Activity (Go SEA)

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