UCSF

ZINC53645578

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 21 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) 2.30 3.74 -11.38 0 5 0 50 332.853 6
Lo Low (pH 4.5-6) 2.30 5.95 -45.51 1 5 1 51 333.861 6

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

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