UCSF

ZINC71491600

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 14 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) 2.50 5.28 -4.63 2 2 0 29 188.274 0
Lo Low (pH 4.5-6) 2.50 5.9 -29.65 3 2 1 30 189.282 0
Lo Low (pH 4.5-6) 2.50 5.13 -40.79 3 2 1 31 189.282 0

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

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