UCSF

ZINC00684684

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 32 Yes

Popular Name: 7-butyryl-6-(6-chloro-1,3-benzodioxol-5-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl methyl sulfide 7-butyryl-6-(6-chloro-1,3-benzod…

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Other Names:

MFCD03080466

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) 4.54 -2.19 -12.67 0 0 0 86 470.938 8 ↓

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