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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-chloro-N-hydroxy-benzenesulfonamide 4-chloro-N-hydroxy-benzenesulfon…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAH2-6-E Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic Eukaryotes 21 0.90 Binding ≤ 10μM
CAH4-16-E Carbonic Anhydrase IV (cluster #16 Of 16), Eukaryotic Eukaryotes 120 0.81 Binding ≤ 10μM
Z50592-6-O Oryctolagus Cuniculus (cluster #6 Of 8), Other Other 1360 0.68 Functional ≤ 10μM

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) 1.37 -1.15 -9.61 2 4 0 66 207.638 2 ↓
Hi High (pH 8-9.5) 1.37 -0.13 -43.63 1 4 -1 69 206.63 2 ↓

Analogs

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Popular Name: 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethylthio]-2,6-difluoro-phenoxy]acetate 2-[4-[2-[(4-chlorophenyl)sulfony…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50592-6-O Oryctolagus Cuniculus (cluster #6 Of 8), Other Other 340 0.34 Functional ≤ 10μM

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) 3.23 7.35 -56.86 1 6 -1 96 436.865 9 ↓

Analogs

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Popular Name: 11-(benzenesulfonamido)undecanoic 11-(benzenesulfonamido)undecanoic

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50592-6-O Oryctolagus Cuniculus (cluster #6 Of 8), Other Other 10000 0.30 Functional ≤ 10μM
Z50597-9-O Rattus Norvegicus (cluster #9 Of 12), Other Other 4600 0.32 Functional ≤ 10μM

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) 4.33 8.44 -51.51 1 5 -1 86 340.465 13 ↓
Lo Low (pH 4.5-6) 4.33 6.46 -13.49 2 5 0 83 341.473 13 ↓

Analogs

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Popular Name: Benzenesulfohydroxamic Acid Benzenesulfohydroxamic Acid

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And 7 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAH2-6-E Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic Eukaryotes 26 0.97 Binding ≤ 10μM
CAH4-16-E Carbonic Anhydrase IV (cluster #16 Of 16), Eukaryotic Eukaryotes 74 0.91 Binding ≤ 10μM
Z50592-6-O Oryctolagus Cuniculus (cluster #6 Of 8), Other Other 1030 0.76 Functional ≤ 10μM

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) 0.69 -1.68 -10.71 2 4 0 66 173.193 2 ↓
Hi High (pH 8-9.5) 0.69 -0.65 -48.64 1 4 -1 69 172.185 2 ↓

Analogs

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Popular Name: Daltroban Daltroban

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And 1 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PGH2-4-E Cyclooxygenase-2 (cluster #4 Of 8), Eukaryotic Eukaryotes 62 0.44 Binding ≤ 10μM
TA2R-1-E Thromboxane A2 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 63 0.44 Binding ≤ 10μM
TA2R-1-E Thromboxane A2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 37 0.45 Functional ≤ 10μM
Z50512-6-O Cavia Porcellus (cluster #6 Of 7), Other Other 500 0.38 Functional ≤ 10μM
Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 640 0.38 Functional ≤ 10μM
Z50592-6-O Oryctolagus Cuniculus (cluster #6 Of 8), Other Other 120 0.42 Functional ≤ 10μM

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) 2.91 7.16 -51.57 1 5 -1 86 352.819 7 ↓

Parameters Provided:

target.name = Z50592-6-O
target.type = F10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'Z50592-6-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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