UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(4-hydroxyphenyl)methyl]-2-(2-naphthyloxy)acetamide N-[(4-hydroxyphenyl)methyl]-2-(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) 3.20 6.61 -14.85 2 4 0 59 307.349 5 ↓

Analogs

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Popular Name: propanamide, 3-[[[(1-bromo-2-naphthalenyl)oxy]acetyl](phenylmethyl)amino]- propanamide, 3-[[[(1-bromo-2-nap…

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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 9.86 -20.22 2 5 0 73 441.325 8 ↓

Analogs

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Popular Name: 2-[(1-formyl-2-naphthyl)oxy]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide 2-[(1-formyl-2-naphthyl)oxy]-N-[…

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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 9.84 -20.45 1 5 0 65 363.413 8 ↓

Analogs

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Popular Name: N-[[4-(ethoxymethyl)phenyl]methyl]-2-[(1-formyl-2-naphthyl)oxy]acetamide N-[[4-(ethoxymethyl)phenyl]methy…

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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 10.8 -20.33 1 5 0 65 377.44 9 ↓

Analogs

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Popular Name: N-[[2-(ethoxymethyl)phenyl]methyl]-2-[(1-formyl-2-naphthyl)oxy]acetamide N-[[2-(ethoxymethyl)phenyl]methy…

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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) 3.68 10.94 -19.74 1 5 0 65 377.44 9 ↓

Analogs

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Popular Name: N-[(3-fluorophenyl)methyl]-2-[(1-formyl-2-naphthyl)oxy]-N-methyl-acetamide N-[(3-fluorophenyl)methyl]-2-[(1…

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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) 3.79 12.3 -26.03 0 4 0 47 351.377 6 ↓

Analogs

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Popular Name: N-[[4-(difluoromethoxy)phenyl]methyl]-2-[(1-formyl-2-naphthyl)oxy]-N-methyl-acetamide N-[[4-(difluoromethoxy)phenyl]me…

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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) 4.26 11.81 -26.92 0 5 0 56 399.393 8 ↓

Analogs

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Popular Name: methyl 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) 4.59 10.63 -20.38 1 5 0 65 428.282 7 ↓

Analogs

39225360
39225360

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Popular Name: 2-[(1-bromo-2-naphthyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide 2-[(1-bromo-2-naphthyl)oxy]-N-[(…

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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) 4.07 9.21 -20.02 1 5 0 57 430.298 7 ↓

Analogs

12927788
12927788

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Popular Name: 4-[[methyl-[2-(2-naphthyloxy)acetyl]amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide 4-[[methyl-[2-(2-naphthyloxy)ace…

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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) 4.05 11.18 -17.52 1 5 0 59 430.426 8 ↓

Analogs

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Popular Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-2-(2-naphthyloxy)acetamide N-[(2-chloro-6-fluoro-phenyl)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) 4.67 11.85 -15.72 0 3 0 30 357.812 5 ↓

Analogs

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Popular Name: 3-[(1R)-1-(benzylcarbamoyl)propoxy]naphthalene-2-carboxylic 3-[(1R)-1-(benzylcarbamoyl)propo…

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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) 4.47 10.75 -72.95 1 5 -1 78 362.405 7 ↓

Analogs

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Popular Name: 3-[(1S)-1-(benzylcarbamoyl)propoxy]naphthalene-2-carboxylic 3-[(1S)-1-(benzylcarbamoyl)propo…

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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) 4.47 10.76 -72.91 1 5 -1 78 362.405 7 ↓

Analogs

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Popular Name: 3-[benzyl-[2-(2-naphthyloxy)acetyl]amino]propanoic 3-[benzyl-[2-(2-naphthyloxy)acet…

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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) 3.44 12.26 -47.06 0 5 -1 70 362.405 8 ↓

Analogs

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Popular Name: (2S)-2-(4-bromophenyl)-2-[[2-(2-naphthyloxy)acetyl]amino]acetamide (2S)-2-(4-bromophenyl)-2-[[2-(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) 3.41 7.15 -18.31 3 5 0 81 413.271 6 ↓

Analogs

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Popular Name: (2R)-2-(4-bromophenyl)-2-[[2-(2-naphthyloxy)acetyl]amino]acetamide (2R)-2-(4-bromophenyl)-2-[[2-(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) 3.41 7.15 -18.33 3 5 0 81 413.271 6 ↓

Analogs

32226800
32226800
32226807
32226807

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Popular Name: N-(3-chlorobenzyl)-N-methyl-2-(2-naphthoxy)acetamide N-(3-chlorobenzyl)-N-methyl-2-(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) 4.58 1.7 -13.45 0 3 0 29 339.822 5 ↓

Analogs

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Popular Name: acetamide, N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(2-naphthalenyloxy)- acetamide, N-[[3-methoxy-4-(3-me…

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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) 4.98 11.69 -15.81 1 5 0 57 407.51 10 ↓

Analogs

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Popular Name: acetamide, 2-[(1-bromo-2-naphthalenyl)oxy]-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]- acetamide, 2-[(1-bromo-2-naphtha…

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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) 5.72 12.23 -17.92 1 5 0 57 486.406 10 ↓

Analogs

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Popular Name: acetamide, N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2-naphthalenyloxy)- acetamide, N-[(3-methoxy-4-propo…

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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) 4.21 10.38 -15.97 1 5 0 57 379.456 9 ↓

Analogs

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Popular Name: acetamide, 2-[(1-bromo-2-naphthalenyl)oxy]-N-[(3-methoxy-4-propoxyphenyl)methyl]- acetamide, 2-[(1-bromo-2-naphtha…

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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) 4.95 10.94 -18.11 1 5 0 57 458.352 9 ↓

Analogs

18074062
18074062
5365851
5365851
6376090
6376090
6529479
6529479

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Popular Name: N-[(4-hydroxyphenyl)methyl]-N-methyl-2-(2-naphthyloxy)acetamide N-[(4-hydroxyphenyl)methyl]-N-me…

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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) 3.45 8.74 -16.92 1 4 0 50 321.376 5 ↓

Parameters Provided:

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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 = 17460 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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