UCSF

ZINC52818641

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 26 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) 2.42 5.28 -17.11 3 7 0 100 371.418 5
Hi High (pH 8-9.5) 2.42 6.27 -60.37 2 7 -1 103 370.41 5

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

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