UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(3-methoxyphenyl)-N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridyl]methyl]acetamide 2-(3-methoxyphenyl)-N-[[2-(4-met…

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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) 4.13 9.49 -13.9 1 5 0 60 390.483 7 ↓
Mid Mid (pH 6-8) 4.13 9.86 -39.25 2 5 1 62 391.491 7 ↓

Analogs

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Popular Name: N-[[2-(4-methoxyphenyl)-3-pyridyl]methyl]-2-(p-tolyl)acetamide N-[[2-(4-methoxyphenyl)-3-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) 3.73 8.89 -11.53 1 4 0 51 346.43 6 ↓
Lo Low (pH 4.5-6) 3.73 9.29 -42.24 2 4 1 52 347.438 6 ↓

Analogs

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Popular Name: N-[[2-(m-tolyl)-3-pyridyl]methyl]-2-(p-tolyl)acetamide N-[[2-(m-tolyl)-3-pyridyl]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) 4.10 10.25 -10.39 1 3 0 42 330.431 5 ↓
Lo Low (pH 4.5-6) 4.10 10.65 -40.64 2 3 1 43 331.439 5 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-N-[[2-(m-tolyl)-3-pyridyl]methyl]acetamide 2-(4-fluorophenyl)-N-[[2-(m-toly…

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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) 3.81 9.62 -10.9 1 3 0 42 334.394 5 ↓
Lo Low (pH 4.5-6) 3.81 10.04 -42.47 2 3 1 43 335.402 5 ↓

Analogs

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Popular Name: N-[[2-(4-fluorophenyl)-3-pyridyl]methyl]-2-(p-tolyl)acetamide N-[[2-(4-fluorophenyl)-3-pyridyl…

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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) 3.84 9.65 -10.35 1 3 0 42 334.394 5 ↓

Analogs

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Popular Name: 2-(2-chlorophenyl)-N-[[2-(4-fluorophenyl)-3-pyridyl]methyl]acetamide 2-(2-chlorophenyl)-N-[[2-(4-fluo…

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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) 4.02 9.41 -10.62 1 3 0 42 354.812 5 ↓

Analogs

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Popular Name: 2-(3-fluorophenyl)-N-[[2-(4-fluorophenyl)-3-pyridyl]methyl]acetamide 2-(3-fluorophenyl)-N-[[2-(4-fluo…

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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) 3.53 9.04 -11 1 3 0 42 338.357 5 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-N-[[2-(4-fluorophenyl)-3-pyridyl]methyl]acetamide 2-(4-fluorophenyl)-N-[[2-(4-fluo…

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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) 3.55 9.03 -11.2 1 3 0 42 338.357 5 ↓

Analogs

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Popular Name: 2-(3-methoxyphenyl)-N-[(2-phenyl-3-pyridyl)methyl]acetamide 2-(3-methoxyphenyl)-N-[(2-phenyl…

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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) 3.26 8.21 -11.94 1 4 0 51 332.403 6 ↓

Analogs

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Popular Name: 2-(4-methoxyphenyl)-N-[(2-phenyl-3-pyridyl)methyl]acetamide 2-(4-methoxyphenyl)-N-[(2-phenyl…

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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) 3.28 8.21 -11.8 1 4 0 51 332.403 6 ↓
Lo Low (pH 4.5-6) 3.28 8.6 -42.62 2 4 1 52 333.411 6 ↓

Analogs

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Popular Name: N-[(2-phenyl-3-pyridyl)methyl]-2-(p-tolyl)acetamide N-[(2-phenyl-3-pyridyl)methyl]-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) 3.67 9.58 -10.36 1 3 0 42 316.404 5 ↓
Lo Low (pH 4.5-6) 3.67 9.98 -40.57 2 3 1 43 317.412 5 ↓

Analogs

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Popular Name: 2-(2-chlorophenyl)-N-[(2-phenyl-3-pyridyl)methyl]acetamide 2-(2-chlorophenyl)-N-[(2-phenyl-…

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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) 3.85 9.33 -10.09 1 3 0 42 336.822 5 ↓

Analogs

35900137
35900137

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Popular Name: 2-(3-fluorophenyl)-N-[(2-phenyl-3-pyridyl)methyl]acetamide 2-(3-fluorophenyl)-N-[(2-phenyl-…

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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) 3.36 8.97 -11.26 1 3 0 42 320.367 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenyl)-N-[(2-phenyl-3-pyridyl)methyl]acetamide 2-(4-fluorophenyl)-N-[(2-phenyl-…

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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) 3.39 8.97 -10.95 1 3 0 42 320.367 5 ↓

Parameters Provided:

ring.id = 382740
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 382740 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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