UCSF

ZINC00154347

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 20 Yes

Popular Name: 4-Chloro-N-cyclopropyl-N-piperidin-4-ylbenzenesulfonamide 4-Chloro-N-cyclopropyl-N-piperid…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 180200-86-6 , 387350-81-4 , [387350-81-4]

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) 2.12 5.4 -46.47 2 4 1 54 315.846 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 111 - 114° Fluorochem
MP 111-114° Matrix Scientific
MP 188-195° Oakwood Chemical
Purity 91% Matrix Scientific
Purity 95% Fluorochem
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 313 0.46 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50512 Z50512 Cavia Porcellus 313 0.46 Functional ≤ 10μM

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

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