UCSF

ZINC20267975

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 19 Yes

Popular Name: 2-{[(tetrahydrofuran-2-ylmethyl)amino]methyl}quinazolin-4(3H)-one 2-{[(tetrahydrofuran-2-ylmethyl)…

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CAS Number: 775314-76-6

Other Names:

MFCD06345719

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) 1.02 2.8 -10.8 2 5 0 67 259.309 4 ↓
Hi High (pH 8-9.5) 1.48 1.75 -42.83 1 5 -1 70 258.301 4 ↓
Mid Mid (pH 6-8) 1.02 4.21 -52.27 3 5 1 72 260.317 4 ↓
Mid Mid (pH 6-8) 1.48 3.16 -42.53 2 5 0 75 259.309 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 128 - 132 Enamine Building Blocks
MP 129 - 131 Enamine Building Blocks
MP 129...131 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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