UCSF

ZINC61306348

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 27 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) 1.08 7.1 -53.05 3 7 1 88 381.541 8
Mid Mid (pH 6-8) 1.08 4.91 -21.08 2 7 0 87 380.533 8

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

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