UCSF

ZINC66322514

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2011 13 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) 0.24 3.37 -38.39 0 6 -1 65 182.207 1
Lo Low (pH 4.5-6) 0.24 3.32 -5.43 1 6 0 67 183.215 1

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

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