UCSF

ZINC39693990

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 39 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 11.27 -100.68 4 8 2 83 535.733 8
Mid Mid (pH 6-8) 2.68 8.92 -53.64 3 8 1 82 534.725 8

Activity (Go SEA)

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