UCSF

ZINC20890218

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 33 Yes

Popular Name: (5S)-5-(4-ethoxy-3-methoxy-phenyl)-2-[(2-fluorophenyl)methylsulfanyl]-1-methyl-6,8-dihydro-5H-pyrido (5S)-5-(4-ethoxy-3-methoxy-pheny…

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Download: MOL2 SDF SMILES Flexibase

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) 3.32 10.32 -23.61 1 7 0 82 469.538 7 ↓
Mid Mid (pH 6-8) 3.32 11.21 -45.59 2 7 1 84 470.546 7 ↓

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