UCSF

ZINC13262056

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 31 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) 3.47 7.34 -67.19 2 7 -1 115 441.46 7
Hi High (pH 8-9.5) 3.47 7.37 -124.06 1 7 -2 117 440.452 7

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

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