UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

31715916
31715916
31715919
31715919

Draw Identity 99% 90% 80% 70%

Popular Name: cyclopropanecarboxamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]- cyclopropanecarboxamide, N-[4-[[…

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 8.64 -28.79 2 5 0 67 358.825 6 ↓

Analogs

31715916
31715916
31715919
31715919

Draw Identity 99% 90% 80% 70%

Popular Name: cyclopropanecarboxamide, N-[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]phenyl]- cyclopropanecarboxamide, N-[4-[[…

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 8.68 -28.75 2 5 0 67 358.825 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-(4-isopropyl-3-methyl-phenoxy)acetyl]aminophenyl]cyclopropanecarboxamide N-[4-[2-(4-isopropyl-3-methyl-ph…

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) 4.26 0.16 -20.31 2 5 0 67 366.461 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-(5-isopropyl-2-methyl-phenoxy)acetyl]aminophenyl]cyclopropanecarboxamide N-[4-[2-(5-isopropyl-2-methyl-ph…

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) 4.74 0.27 -15.7 2 5 0 67 366.461 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-(4-methylphenoxy)acetyl]aminophenyl]cyclopropanecarboxamide N-[4-[2-(4-methylphenoxy)acetyl]…

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) 3.30 -0.6 -21.69 2 5 0 67 324.38 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-(2,3-dimethylphenoxy)acetyl]aminophenyl]cyclopropanecarboxamide N-[4-[2-(2,3-dimethylphenoxy)ace…

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 -0.3 -16.27 2 5 0 67 338.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-(4-bromo-2-fluoro-phenoxy)acetyl]aminophenyl]cyclopropanecarboxamide N-[4-[2-(4-bromo-2-fluoro-phenox…

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) 3.75 -0.94 -19.4 2 5 0 67 407.239 6 ↓

Analogs

9897940
9897940

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-(2-isopropylphenoxy)acetyl]aminophenyl]cyclopropanecarboxamide N-[4-[2-(2-isopropylphenoxy)acet…

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 -0.03 -20.09 2 5 0 67 352.434 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(2-phenoxyacetyl)amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide N-[4-[(2-phenoxyacetyl)amino]-3-…

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) 3.67 8.74 -14.89 2 5 0 67 378.35 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[2-(4-chlorophenoxy)acetyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide N-[4-[[2-(4-chlorophenoxy)acetyl…

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) 4.35 1.36 -14.48 2 5 0 67 412.795 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[2-(2-methylphenoxy)acetyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide N-[4-[[2-(2-methylphenoxy)acetyl…

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) 4.07 1.9 -14.63 2 5 0 67 392.377 7 ↓

Analogs

12226571
12226571

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[2-(3-methylphenoxy)acetyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide N-[4-[[2-(3-methylphenoxy)acetyl…

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) 4.09 1.84 -15.03 2 5 0 67 392.377 7 ↓

Analogs

12226563
12226563

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide N-[4-[[2-(3,5-dimethylphenoxy)ac…

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 2.14 -16.15 2 5 0 67 406.404 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[2-(2-fluorophenoxy)acetyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide N-[4-[[2-(2-fluorophenoxy)acetyl…

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) 3.79 2.25 -18.79 2 5 0 67 396.34 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[2-(4-bromophenoxy)acetyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide N-[4-[[2-(4-bromophenoxy)acetyl]…

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 0.75 -14.44 2 5 0 67 457.246 7 ↓

Analogs

12930249
12930249

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide N-[4-[[2-(2-ethoxyphenoxy)acetyl…

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) 3.66 1.77 -18.39 2 6 0 77 422.403 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide N-[4-[[2-(4-chloro-3-methyl-phen…

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 9.85 -14.58 2 5 0 67 426.822 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[2-(2,3-dimethylphenoxy)acetyl]amino]-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide N-[4-[[2-(2,3-dimethylphenoxy)ac…

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) 4.47 2.1 -15.93 2 5 0 67 406.404 7 ↓

Parameters Provided:

ring.id = 22446
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 = 22446 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=22446&filter.purchasability=annotated

Embed Link to Results