UCSF

ZINC26507856

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 17 Yes

Popular Name: 2-[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]pyrazine 2-[5-(4-pyridyl)-1H-1,2,4-triazo…

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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) 0.50 2.73 -9.17 1 6 0 80 224.227 2 ↓
Hi High (pH 8-9.5) 0.51 2.57 -43.92 0 6 -1 79 223.219 2 ↓
Hi High (pH 8-9.5) 0.50 2.58 -43.91 0 6 -1 79 223.219 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4011218; US4071518; US4102889; US4156085; US4198513; US4256887 IBM Patent Data

Activity (Go SEA)

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