UCSF

ZINC20079765

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 17 Yes

Popular Name: 3-Fluoro-4-(4-methylpiperazin-1-yl)benzoic acid 3-Fluoro-4-(4-methylpiperazin-1-…

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CAS Numbers: 250683-76-2 , 948018-60-8 , [250683-76-2]

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) 1.93 5.63 -76.68 1 4 0 48 238.262 2 ↓
Mid Mid (pH 6-8) 1.93 3.16 -46.13 0 4 -1 47 237.254 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 286 - 288 Enamine Building Blocks
MP 286...288 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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