UCSF

ZINC04944403

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 26 Yes

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

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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) 1.81 3.09 -14.13 3 8 0 114 377.422 5 ↓
Mid Mid (pH 6-8) 2.44 1.03 -43.63 2 8 -1 120 376.414 5 ↓
Mid Mid (pH 6-8) 2.44 1.49 -31.82 3 8 0 121 377.422 5 ↓

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