UCSF

ZINC22721102

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 32 Yes

Popular Name: N-(3,5-dimethylphenyl)-2-[[6-[(4-methoxyphenyl)methyl]-7-oxo-8H-[1,2,4]triazolo[4,5-b][1,2,4]triazin N-(3,5-dimethylphenyl)-2-[[6-[(4…

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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) 3.33 9.31 -21.19 3 9 0 117 450.524 6 ↓
Ref Reference (pH 7) 4.24 8.85 -45.7 1 9 -1 117 449.516 7 ↓
Hi High (pH 8-9.5) 3.33 9.15 -50.59 2 9 -1 115 449.516 6 ↓
Lo Low (pH 4.5-6) 3.33 9.31 -34.88 3 9 0 117 450.524 6 ↓

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Rings

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

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