UCSF

ZINC15882088

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2008 33 Yes

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

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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) 3.67 9.8 -45.12 1 9 -1 117 463.543 7 ↓
Mid Mid (pH 6-8) 2.77 10.09 -49.98 2 9 -1 115 463.543 6 ↓
Mid Mid (pH 6-8) 2.77 10.25 -34.43 3 9 0 117 464.551 6 ↓

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