UCSF

ZINC04944393

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 25 Yes

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

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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) 2.30 4 -12.23 3 7 0 104 361.423 5 ↓
Mid Mid (pH 6-8) 2.93 1.93 -43.34 2 7 -1 111 360.415 5 ↓
Mid Mid (pH 6-8) 2.93 2.4 -30.27 3 7 0 112 361.423 5 ↓

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