UCSF

ZINC69482338

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 24 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) 2.50 1.89 -14.86 3 7 0 109 330.292 3
Hi High (pH 8-9.5) 2.50 2.95 -63.62 2 7 -1 112 329.284 3

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

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