UCSF

ZINC00122596

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 17 Yes

Popular Name: 1-Benzenesulfonyl-pyrrolidine-2-carboxylic acid 1-Benzenesulfonyl-pyrrolidine-2-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 88425-46-1 , 88425-47-2 , [88425-47-2]

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) -0.57 4.04 -47.83 0 5 -1 78 254.287 3 ↓

Vendor Notes

Note Type Comments Provided By
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

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50512-6-O Cavia Porcellus (cluster #6 Of 7), Other Other 910 0.50 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50512 Z50512 Cavia Porcellus 910 0.50 Functional ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.