UCSF

ZINC49635536

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 1.09 3.24 -19.12 3 8 0 113 317.33 5
Mid Mid (pH 6-8) 1.09 3.25 -16.64 3 8 0 113 317.33 5

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

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