UCSF

ZINC42018156

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 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) 0.20 -0.4 -17.15 3 7 0 106 301.368 4
Mid Mid (pH 6-8) 0.20 0.09 -45.51 2 7 -1 103 300.36 4

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

No pre-computed analogs available. Try a structural similarity search.