UCSF

ZINC54421916

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 24 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) 2.64 5.06 -48.16 4 5 1 81 329.42 3
Hi High (pH 8-9.5) 2.64 2.79 -14.24 3 5 0 80 328.412 3

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

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