UCSF

ZINC52851805

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 28 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) 2.19 7.46 -29.06 1 7 0 84 398.488 6
Lo Low (pH 4.5-6) 2.19 7.94 -56.84 2 7 1 86 399.496 6

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

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