UCSF

ZINC17994720

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 17 Yes

Popular Name: methyl 2-(4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl)acetate methyl 2-(4-oxo-4,5-dihydro-1H-1…

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CAS Number: 91392-96-0

Other Names:

MFCD05854735

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) 1.73 2.19 -8.17 2 5 0 71 232.239 2 ↓
Mid Mid (pH 6-8) 1.73 1.56 -8.14 2 5 0 71 232.239 2 ↓
Mid Mid (pH 6-8) 1.55 3.57 -9.62 2 5 0 67 232.239 2 ↓
Mid Mid (pH 6-8) 1.55 4.07 -8.89 2 5 0 67 232.239 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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