UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-[(1R)-2-[[2-(2-furylmethylamino)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]benzamide 4-tert-butyl-N-[(1R)-2-[[2-(2-fu…

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) 2.54 4.9 -12.02 3 7 0 100 385.464 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-difluoro-N-[(1R)-1-[[2-(2-furylmethylamino)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]benzamide 2,6-difluoro-N-[(1R)-1-[[2-(2-fu…

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) 1.84 3.95 -14.46 3 7 0 100 393.39 8 ↓

Analogs

4408592
4408592
7952446
7952446

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[(1R)-1-[[2-(2-furylmethylamino)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]benzamide 4-fluoro-N-[(1R)-1-[[2-(2-furylm…

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) 1.77 4.08 -10.63 3 7 0 100 375.4 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[(1R)-1-[[2-(2-furylmethylamino)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]benzamide 2-chloro-N-[(1R)-1-[[2-(2-furylm…

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) 2.24 4.51 -12.36 3 7 0 100 391.855 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[(1R)-1-[[2-(2-furylmethylamino)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]benzamide 4-chloro-N-[(1R)-1-[[2-(2-furylm…

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) 2.29 4.53 -10.23 3 7 0 100 391.855 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[(1R)-1-[[2-(2-furylmethylamino)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]benzamide 2-fluoro-N-[(1R)-1-[[2-(2-furylm…

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) 1.73 4.07 -14.46 3 7 0 100 375.4 8 ↓

Analogs

7952733
7952733

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[[2-(2-furylmethylamino)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]-4-methoxy-benzamide N-[(1R)-1-[[2-(2-furylmethylamin…

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) 1.67 3.31 -11.73 3 8 0 110 387.436 9 ↓

Analogs

34969229
34969229
34969230
34969230
34969231
34969231
34969232
34969232

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[[2-(2-furylmethylamino)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]-2-methyl-benzamide N-[(1R)-1-[[2-(2-furylmethylamin…

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) 2.01 4.62 -10.63 3 7 0 100 371.437 8 ↓

Parameters Provided:

ring.id = 39337
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 = 39337 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=39337&filter.purchasability=annotated

Embed Link to Results