UCSF

ZINC36642077

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 34 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) 6.44 15.63 -57.1 1 5 1 47 493.052 7
Hi High (pH 8-9.5) 6.44 13.29 -12.48 0 5 0 46 492.044 7

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

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