UCSF

ZINC35635821

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 32 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) 2.47 7.85 -31.45 2 8 0 95 453.93 6
Lo Low (pH 4.5-6) 2.47 8.2 -56.66 3 8 1 96 454.938 6

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

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