UCSF

ZINC71508439

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 15 Yes

Popular Name: 5-(4-butylphenyl)-1H-tetrazole 5-(4-butylphenyl)-1H-tetrazole

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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) 3.23 5.88 -40 0 4 -1 53 201.253 4 ↓
Lo Low (pH 4.5-6) 3.23 5.88 -5.54 1 4 0 54 202.261 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0528277A1 IBM Patent Data

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Rings

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

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