UCSF

ZINC09560752

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 28 Yes

Popular Name: 3,7-dimethyl-5-oxo-N-(3,4,5-trimethoxyphenyl)-9-thia-2,6-diazabicyclo[4.3.0]nona-1,3,7-triene-4-sulf 3,7-dimethyl-5-oxo-N-(3,4,5-trim…

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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) 1.56 -2.64 -17.85 1 9 0 108 425.488 6 ↓
Hi High (pH 8-9.5) 1.56 -2.06 -55.69 0 9 -1 110 424.48 6 ↓

Activity (Go SEA)

Rings

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