UCSF

ZINC04502060

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 15 Yes

Popular Name: 1-(3-Fluorobenzoyl)piperazine 1-(3-Fluorobenzoyl)piperazine

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CAS Numbers: 1187890-39-6 , 179334-10-2 , [179334-10-2]

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) 0.34 4.1 -52.07 2 3 1 37 209.244 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 248-252° Oakwood Chemical
MP 249 - 251 Enamine Building Blocks
MP 249...251 Enamine Building Blocks
MP 79 - 81 Enamine Building Blocks
MP 79...81 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% )