UCSF

ZINC22721040

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 28 Yes

Popular Name: 2-[[7-oxo-6-(p-tolylmethyl)-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin-3-yl]sulfanyl]-N-thiazol-2-yl-ac 2-[[7-oxo-6-(p-tolylmethyl)-8H-[…

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Download: MOL2 SDF SMILES Flexibase

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) 2.86 8.36 -50.22 1 9 -1 121 412.48 6 ↓
Hi High (pH 8-9.5) 3.04 7.28 -88.75 0 9 -2 127 411.472 6 ↓

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

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