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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25440089
25440089
25440086
25440086
25440021
25440021
25440018
25440018

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Popular Name: (3S)-3-acetamido-3-phenyl-N-[2-(2-pyridyl)ethyl]propanamide (3S)-3-acetamido-3-phenyl-N-[2-(…

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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) 0.15 5.94 -20.31 2 5 0 71 311.385 7 ↓
Lo Low (pH 4.5-6) 0.15 6.28 -47.32 3 5 1 72 312.393 7 ↓

Analogs

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Popular Name: N-methyl-N-[2-(2-pyridyl)ethyl]-3-[2-(trifluoromethoxy)phenyl]propanamide N-methyl-N-[2-(2-pyridyl)ethyl]-…

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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) 3.54 9.07 -13.19 0 4 0 42 352.356 8 ↓
Lo Low (pH 4.5-6) 3.54 9.43 -37.09 1 4 1 44 353.364 8 ↓

Analogs

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Popular Name: N-methyl-N-[2-(2-pyridyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]propanamide N-methyl-N-[2-(2-pyridyl)ethyl]-…

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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) 3.59 9.01 -12.35 0 4 0 42 352.356 8 ↓
Lo Low (pH 4.5-6) 3.59 9.37 -37.44 1 4 1 44 353.364 8 ↓

Analogs

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Popular Name: 3-(3,4-dichlorophenyl)-N-[2-(2-pyridyl)ethyl]propanamide 3-(3,4-dichlorophenyl)-N-[2-(2-p…

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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 8.07 -12.14 1 3 0 42 323.223 6 ↓
Lo Low (pH 4.5-6) 3.66 8.42 -39.57 2 3 1 43 324.231 6 ↓

Analogs

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Popular Name: 3-(3,4-difluorophenyl)-N-methyl-N-[(1R)-1-methyl-2-(4-methyl-2-pyridyl)ethyl]propanamide 3-(3,4-difluorophenyl)-N-methyl-…

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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) 3.99 10.65 -13.25 0 3 0 33 332.394 6 ↓
Mid Mid (pH 6-8) 3.99 11.03 -38.63 1 3 1 34 333.402 6 ↓

Analogs

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Popular Name: 3-(3,4-difluorophenyl)-N-methyl-N-[(1S)-1-methyl-2-(4-methyl-2-pyridyl)ethyl]propanamide 3-(3,4-difluorophenyl)-N-methyl-…

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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) 3.99 11.49 -11.29 0 3 0 33 332.394 6 ↓
Mid Mid (pH 6-8) 3.99 11.26 -39.64 1 3 1 34 333.402 6 ↓

Analogs

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Popular Name: 3-(2-aminophenyl)-N-[2-(2-pyridyl)ethyl]propanamide 3-(2-aminophenyl)-N-[2-(2-pyridy…

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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) 1.81 5.06 -11.69 3 4 0 68 269.348 6 ↓
Lo Low (pH 4.5-6) 1.81 5.42 -38.28 4 4 1 69 270.356 6 ↓

Analogs

44812503
44812503
44812506
44812506

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Popular Name: 3-(3-aminophenyl)-N-[2-(2-pyridyl)ethyl]propanamide 3-(3-aminophenyl)-N-[2-(2-pyridy…

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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) 1.43 4.97 -12.33 3 4 0 68 269.348 6 ↓
Lo Low (pH 4.5-6) 1.43 5.32 -38.42 4 4 1 69 270.356 6 ↓

Analogs

44812503
44812503
44812506
44812506

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Popular Name: 3-(4-aminophenyl)-N-[2-(2-pyridyl)ethyl]propanamide 3-(4-aminophenyl)-N-[2-(2-pyridy…

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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) 1.45 4.98 -12.31 3 4 0 68 269.348 6 ↓
Lo Low (pH 4.5-6) 1.45 5.33 -38.29 4 4 1 69 270.356 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminophenyl)-N-methyl-N-[2-(2-pyridyl)ethyl]propanamide 3-(2-aminophenyl)-N-methyl-N-[2-…

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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) 2.05 7.18 -12.01 2 4 0 59 283.375 6 ↓
Lo Low (pH 4.5-6) 2.05 7.54 -36.33 3 4 1 60 284.383 6 ↓

Analogs

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Popular Name: 3-(3-aminophenyl)-N-methyl-N-[2-(2-pyridyl)ethyl]propanamide 3-(3-aminophenyl)-N-methyl-N-[2-…

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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 7.09 -12.82 2 4 0 59 283.375 6 ↓
Lo Low (pH 4.5-6) 1.67 7.45 -36.68 3 4 1 60 284.383 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-aminophenyl)-N-methyl-N-[2-(2-pyridyl)ethyl]propanamide 3-(4-aminophenyl)-N-methyl-N-[2-…

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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) 1.70 7.1 -12.85 2 4 0 59 283.375 6 ↓
Lo Low (pH 4.5-6) 1.70 7.46 -36.54 3 4 1 60 284.383 6 ↓

Parameters Provided:

ring.id = 24213
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 = 24213 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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