UCSF

ZINC00169240

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 21 No

Popular Name: 1-(4-Nitro-benzenesulfonyl)-piperidine-4-carboxylic acid 1-(4-Nitro-benzenesulfonyl)-pipe…

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CAS Number: 331828-49-0

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) 1.23 -3.27 -53.08 0 8 -1 123 313.311 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 2.480000000000000e+002 - 2.500000000000000e+002 KeyOrganics
melting_point 248 - 250 KeyOrganics
MP 248-250° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity >95% Matrix Scientific
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.