UCSF

ZINC42128163

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 19 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) -0.06 2.11 -16.83 2 6 0 88 258.281 3
Hi High (pH 8-9.5) 0.40 0.25 -55.82 1 6 -1 91 257.273 3
Lo Low (pH 4.5-6) -0.06 2.57 -52.41 3 6 1 89 259.289 3

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

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