UCSF

ZINC04944394

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 24 Yes

Popular Name: 8-ethylsulfanyl-2-(4-hydroxy-3-methoxy-phenyl)-5,7,9-triazabicyclo[4.4.0]deca-7,11-diene-4,10-dione 8-ethylsulfanyl-2-(4-hydroxy-3-m…

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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) 1.79 3.21 -12.48 3 7 0 104 347.396 4 ↓
Mid Mid (pH 6-8) 2.43 1.71 -30.11 3 7 0 112 347.396 4 ↓
Mid Mid (pH 6-8) 2.43 1.25 -42.95 2 7 -1 111 346.388 4 ↓

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