UCSF

ZINC41589084

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 No

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) 5.63 13.13 -12.74 0 6 0 57 494.591 6
Lo Low (pH 4.5-6) 5.63 16.02 -51.12 1 6 1 58 495.599 6

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

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