UCSF

ZINC15440411

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 12 No

Popular Name: 3-Fluoro-4-methylbenzamide oxime 3-Fluoro-4-methylbenzamide oxime

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CAS Numbers: 175277-86-8 , 238742-80-8

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) 0.79 2.09 -5.53 3 3 0 59 168.171 1 ↓
Ref Reference (pH 7) 0.79 1.88 -5.96 3 3 0 59 168.171 1 ↓
Ref Reference (pH 7) 0.92 1.93 -32.41 4 3 1 58 169.179 2 ↓
Mid Mid (pH 6-8) 0.92 2.95 -16.98 3 3 0 61 168.171 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 105 - 107 Enamine Building Blocks
MP 105-107° Matrix Scientific
MP 112 - 114 Enamine Building Blocks
MP 112...114 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings Irritant Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.