UCSF

ZINC03195242

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 20 Yes

Popular Name: 3-[4-(morpholin-4-ylsulfonyl)phenyl]propanoic acid 3-[4-(morpholin-4-ylsulfonyl)phe…

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CAS Numbers: 1007012-15-8 , 327106-18-3

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) 1.04 4.19 -48.02 0 6 -1 87 298.34 5 ↓
Lo Low (pH 4.5-6) 1.04 2.21 -12.75 1 6 0 84 299.348 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 160 - 162 Enamine Building Blocks
MP 167 - 169 Enamine Building Blocks
MP 167...169 Enamine Building Blocks
MP 168 - 170 Enamine Building Blocks
MP 168...170 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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