UCSF

ZINC54842535

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 23 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) 1.69 6.86 -65.48 3 5 1 66 336.412 4
Hi High (pH 8-9.5) 1.69 4.53 -23.64 2 5 0 64 335.404 4

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

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