UCSF

ZINC13418127

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 27 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) 1.32 6.47 -65.54 1 9 -1 134 403.421 4
Hi High (pH 8-9.5) 1.77 4.01 -125.81 0 9 -2 137 402.413 4

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

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