UCSF

ZINC48791113

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 15 No

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) 0.05 4.97 -9.56 1 5 0 62 244.345 3
Hi High (pH 8-9.5) 0.05 4.77 -39.42 0 5 -1 60 243.337 3

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

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