UCSF

ZINC59211411

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 12 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) -3.75 -0.69 -45.76 1 6 -1 96 172.116 4
Lo Low (pH 4.5-6) -3.75 1.3 -54.01 2 6 0 100 173.124 4

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

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