UCSF

ZINC69482092

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 28 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) 1.67 0.99 -13.49 3 9 0 124 392.36 5
Hi High (pH 8-9.5) 1.67 2.05 -58.31 2 9 -1 127 391.352 5

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

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