UCSF

ZINC35639305

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 38 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) 1.50 6.63 -16.64 0 9 0 83 520.63 4
Mid Mid (pH 6-8) 1.50 8.98 -63.51 1 9 1 84 521.638 4

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

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