UCSF

ZINC39133082

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 12 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) 1.07 5.35 -87.45 4 3 2 47 169.272 5
Mid Mid (pH 6-8) 1.07 4.89 -36.23 3 3 1 45 168.264 5

Activity (Go SEA)

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