UCSF

ZINC12504532

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 20 Yes

Popular Name: 3-(3,5-Dimethyl-piperidine-1-sulfonyl)-benzoic acid 3-(3,5-Dimethyl-piperidine-1-sul…

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CAS Number: 328028-36-0

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) 2.76 6.21 -52.69 0 5 -1 78 296.368 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 217 - 219 Enamine Building Blocks
MP 217...219 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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