UCSF

ZINC34753042

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 37 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) 4.62 9.75 -47.04 4 9 1 128 529.683 13
Hi High (pH 8-9.5) 4.62 8.55 -23.66 3 9 0 126 528.675 12

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

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