UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methyl-3-sulfamoyl-phenyl)-4-phenoxy-benzamide N-(4-methyl-3-sulfamoyl-phenyl)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.65 -4.52 -20.69 3 6 0 98 382.441 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methylsulfonylphenyl)-4-phenoxy-benzamide N-(2-methylsulfonylphenyl)-4-phe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.84 -1.69 -12.51 1 5 0 72 367.426 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-acetylphenyl)-4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzamide N-(3-acetylphenyl)-4-(4-chloro-2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.81 11.51 -23.75 1 8 0 110 440.839 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[[4-(4-fluorophenoxy)benzoyl]amino]benzoyl]amino]acetic 2-[[4-[[4-(4-fluorophenoxy)benzo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.27 7.66 -51.07 2 7 -1 108 407.377 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-(4-fluorophenoxy)benzoyl]amino]-4-methyl-benzoic 3-[[4-(4-fluorophenoxy)benzoyl]a…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.03 9.9 -65.99 1 5 -1 78 364.352 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-(4-fluorophenoxy)benzoyl]amino]benzoic 3-[[4-(4-fluorophenoxy)benzoyl]a…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.63 9.07 -65.78 1 5 -1 78 350.325 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-(4-fluorophenoxy)benzoyl]amino]benzoic 4-[[4-(4-fluorophenoxy)benzoyl]a…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.66 9.07 -57.27 1 5 -1 78 350.325 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(4-fluorophenoxy)benzoyl]amino]-4,5-dimethoxy-benzoic 2-[[4-(4-fluorophenoxy)benzoyl]a…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.41 8.6 -47.89 1 7 -1 97 410.377 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-4-[[4-(4-fluorophenoxy)benzoyl]amino]-2-methoxy-benzoic 5-chloro-4-[[4-(4-fluorophenoxy)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.33 9.76 -55.29 1 6 -1 88 414.796 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(4-fluorophenoxy)benzoyl]amino]benzoic 2-[[4-(4-fluorophenoxy)benzoyl]a…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.79 9.48 -49.13 1 5 -1 78 350.325 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-acetamido-2-methyl-phenyl)-4-(4-fluorophenoxy)benzamide N-(3-acetamido-2-methyl-phenyl)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.32 9.28 -21.08 2 5 0 67 378.403 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-acetamido-2-fluoro-phenyl)-4-(4-fluorophenoxy)benzamide N-(5-acetamido-2-fluoro-phenyl)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.06 8.42 -13.84 2 5 0 67 382.366 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[4-[[4-(4-fluorophenoxy)benzoyl]amino]phenyl]prop-2-enoic (E)-3-[4-[[4-(4-fluorophenoxy)be…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.72 10.29 -56.17 1 5 -1 78 376.363 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[[4-(4-fluorophenoxy)benzoyl]amino]benzoic 4-chloro-3-[[4-(4-fluorophenoxy)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.26 9.67 -56.31 1 5 -1 78 384.77 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[4-(4-fluorophenoxy)benzoyl]amino]benzene-1,3-dicarboxylic 5-[[4-(4-fluorophenoxy)benzoyl]a…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.50 8.66 -120.36 1 7 -2 119 393.326 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-2-[[4-(4-fluorophenoxy)benzoyl]amino]benzoic 4-fluoro-2-[[4-(4-fluorophenoxy)…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.93 9.53 -43.33 1 5 -1 78 368.315 5 ↓

Analogs

40178936
40178936
40179036
40179036
40179137
40179137

Draw Identity 99% 90% 80% 70%

Popular Name: 4-phenoxy-N-(4-sulfamoylphenyl)benzamide 4-phenoxy-N-(4-sulfamoylphenyl)b…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.28 -5.14 -17.23 3 6 0 98 368.414 5 ↓

Analogs

40178944
40178944
40179044
40179044
40179146
40179146
855868
855868

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetamidophenyl)-4-phenoxy-benzamide N-(4-acetamidophenyl)-4-phenoxy-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.80 8.29 -18.99 2 5 0 67 346.386 5 ↓

Analogs

40179015
40179015
40179115
40179115
6340652
6340652

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-(4-fluorophenoxy)benzoyl]amino]benzamide 4-[[4-(4-fluorophenoxy)benzoyl]a…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.57 6.24 -13.87 3 5 0 81 350.349 5 ↓

Analogs

40178915
40178915
40179015
40179015
40179115
40179115
6260273
6260273
6340652
6340652

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-fluorophenoxy)-N-phenyl-benzamide 4-(4-fluorophenoxy)-N-phenyl-ben…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.75 9.43 -9.55 1 3 0 38 307.324 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-chloro-2-nitro-phenoxy)-N-[3-(ethylcarbamoyl)phenyl]-3-methoxy-benzamide 4-(4-chloro-2-nitro-phenoxy)-N-[…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.48 10.1 -25.07 2 9 0 122 469.881 8 ↓

Analogs

44689312
44689312

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-3-[(4-phenoxybenzoyl)amino]benzamide N-ethyl-3-[(4-phenoxybenzoyl)ami…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.13 8.51 -20.4 2 5 0 67 360.413 6 ↓

Parameters Provided:

ring.id = 5811
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 5811 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=5811&filter.purchasability=annotated

Embed Link to Results