UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-cyclopropyl-N-(2-furylmethyl)-2-phenyl-propanamide (2R)-2-amino-N-cyclopropyl-N-(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) 2.12 6.07 -8.33 2 4 0 59 284.359 5 ↓
Mid Mid (pH 6-8) 2.12 6.26 -44.73 3 4 1 61 285.367 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-N-cyclopropyl-N-(2-furylmethyl)-2-phenyl-propanamide (2S)-2-amino-N-cyclopropyl-N-(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) 2.12 6.26 -11.04 2 4 0 59 284.359 5 ↓
Mid Mid (pH 6-8) 2.12 6.6 -49.54 3 4 1 61 285.367 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminophenyl)-N-cyclopropyl-N-(2-furylmethyl)acetamide 2-(3-aminophenyl)-N-cyclopropyl-…

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) 1.54 6.73 -12.05 2 4 0 59 270.332 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-aminophenyl)-N-cyclopropyl-N-[(5-methyl-2-furyl)methyl]acetamide 2-(3-aminophenyl)-N-cyclopropyl-…

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) 1.76 7.64 -10.62 2 4 0 59 284.359 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-[(1S)-1-(2-furyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide N-cyclopropyl-N-[(1S)-1-(2-furyl…

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) 3.94 10.57 -10.13 0 3 0 33 337.341 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-[(1R)-1-(2-furyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide N-cyclopropyl-N-[(1R)-1-(2-furyl…

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) 3.94 10.51 -10.51 0 3 0 33 337.341 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-(2-furylmethyl)-2-(2-hydroxyphenyl)acetamide N-cyclopropyl-N-(2-furylmethyl)-…

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) 2.43 6.07 -10.69 1 4 0 54 271.316 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(2-furyl)ethyl]acetamide N-cyclopropyl-2-(3,4-dimethoxyph…

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) 2.69 8.76 -13.32 0 5 0 52 329.396 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-[(1R)-1-(2-furyl)ethyl]acetamide N-cyclopropyl-2-(3,4-dimethoxyph…

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) 2.69 8.7 -13.86 0 5 0 52 329.396 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-[(1S)-1-(2-furyl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide N-cyclopropyl-N-[(1S)-1-(2-furyl…

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) 2.68 8.68 -14.83 0 6 0 61 359.422 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-[(1R)-1-(2-furyl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide N-cyclopropyl-N-[(1R)-1-(2-furyl…

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) 2.68 8.62 -15.26 0 6 0 61 359.422 8 ↓

Analogs

35660283
35660283

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenyl)-N-cyclopropyl-N-[(5-methyl-2-furyl)methyl]acetamide 2-(4-aminophenyl)-N-cyclopropyl-…

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) 1.79 7.66 -10.6 2 4 0 59 284.359 5 ↓

Analogs

741253
741253
741254
741254

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-chloro-N-cyclopropyl-N-(2-furylmethyl)-2-phenyl-acetamide (2S)-2-chloro-N-cyclopropyl-N-(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) 2.87 9.49 -9.19 0 3 0 33 289.762 5 ↓

Analogs

741253
741253
741254
741254

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-chloro-N-cyclopropyl-N-(2-furylmethyl)-2-phenyl-acetamide (2R)-2-chloro-N-cyclopropyl-N-(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) 2.87 9.49 -10.5 0 3 0 33 289.762 5 ↓

Analogs

35699674
35699674
35699676
35699676

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-chloro-N-cyclopropyl-N-[(5-methyl-2-furyl)methyl]-2-phenyl-acetamide (2R)-2-chloro-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) 3.09 10.16 -9.86 0 3 0 33 303.789 5 ↓

Analogs

35699674
35699674
35699676
35699676

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-chloro-N-cyclopropyl-N-[(5-methyl-2-furyl)methyl]-2-phenyl-acetamide (2S)-2-chloro-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) 3.09 10.15 -9.05 0 3 0 33 303.789 5 ↓

Parameters Provided:

ring.id = 30511
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 = 30511 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=30511&filter.purchasability=annotated

Embed Link to Results