UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-cyclopropyl-3,5-difluoro-N-(2-thienylmethyl)benzamide 4-amino-N-cyclopropyl-3,5-difluo…

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) 2.23 6.65 -5.91 2 3 0 46 308.353 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-3,4,5-trifluoro-N-(2-thienylmethyl)benzamide N-cyclopropyl-3,4,5-trifluoro-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) 2.92 8.76 -5.47 0 2 0 20 311.328 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-hydroxy-5-methoxy-N-(2-thienylmethyl)benzamide N-cyclopropyl-2-hydroxy-5-methox…

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) 3.09 5.97 -10.9 1 4 0 50 303.383 5 ↓
Hi High (pH 8-9.5) 3.09 6.91 -54.32 0 4 -1 53 302.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(allylamino)-N-cyclopropyl-N-[(5-methyl-2-thienyl)methyl]benzamide 2-(allylamino)-N-cyclopropyl-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) 3.24 10.01 -7.07 1 3 0 32 326.465 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-cyclopropyl-5-ethylsulfonyl-N-(2-thienylmethyl)benzamide 2-chloro-N-cyclopropyl-5-ethylsu…

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) 2.42 7.7 -15.68 0 4 0 54 383.922 6 ↓

Analogs

35123324
35123324

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopropyl(2-thienylmethyl)carbamoyl]benzoic 2-[cyclopropyl(2-thienylmethyl)c…

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) 2.09 10.38 -66.46 0 4 -1 60 300.359 5 ↓

Analogs

45257772
45257772
30840949
30840949
30303842
30303842
36963447
36963447
36392047
36392047

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(chloromethyl)-N-cyclopropyl-N-(2-thienylmethyl)benzamide 4-(chloromethyl)-N-cyclopropyl-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) 3.14 9.87 -7.98 0 2 0 20 305.83 5 ↓

Analogs

45257818
45257818
37391654
37391654

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(chloromethyl)-N-cyclopropyl-N-(2-thienylmethyl)benzamide 3-(chloromethyl)-N-cyclopropyl-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) 3.12 10.12 -8.84 0 2 0 20 305.83 5 ↓

Analogs

35122482
35122482

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-cyclopropyl-N-(2-thienylmethyl)benzamide 2-amino-N-cyclopropyl-N-(2-thien…

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) 2.00 7.14 -7.69 2 3 0 46 272.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-[(3-methyl-2-thienyl)methyl]-4-sulfamoyl-benzamide N-cyclopropyl-N-[(3-methyl-2-thi…

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) 1.64 4.18 -12.14 2 5 0 80 350.465 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-(methylamino)-N-(2-thienylmethyl)benzamide N-cyclopropyl-2-(methylamino)-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) 2.38 8.13 -7.98 1 3 0 32 286.4 5 ↓

Parameters Provided:

ring.id = 62038
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 = 62038 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=62038&filter.purchasability=annotated

Embed Link to Results