UCSF

ZINC08452744

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2006 28 Yes

Popular Name: 6-(1,3-benzodioxol-5-yl)-10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine 6-(1,3-benzodioxol-5-yl)-10-brom…

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Other Names:

MFCD02071132

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) 4.76 -5.16 -9.18 1 7 0 78 459.325 3 ↓

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