UCSF

ZINC36640946

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 30 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) 6.15 14.58 -40.08 1 5 1 47 467.442 7
Hi High (pH 8-9.5) 6.15 12.09 -7.2 0 5 0 46 466.434 7

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

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