UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2,4-dichlorophenyl)-[4-[[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone (2,4-dichlorophenyl)-[4-[[3-(m-t…

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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) 4.01 8.16 -12.32 0 6 0 62 431.323 4 ↓
Mid Mid (pH 6-8) 4.01 10.42 -53.49 1 6 1 64 432.331 4 ↓

Analogs

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Popular Name: [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[4-(difluoromethoxy)-3-methoxy-p [4-[[3-(4-chlorophenyl)-1,2,4-ox…

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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) 3.19 6.18 -15.55 0 8 0 81 478.883 7 ↓

Analogs

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Popular Name: [4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone [4-[[3-(2-chlorophenyl)-1,2,4-ox…

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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) 3.05 6.9 -16.14 0 6 0 62 400.841 4 ↓
Mid Mid (pH 6-8) 3.05 9.21 -57.01 1 6 1 64 401.849 4 ↓

Analogs

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Popular Name: (4-chlorophenyl)-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone (4-chlorophenyl)-[4-[[3-(2-ethox…

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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) 3.37 7.77 -13.59 0 7 0 72 426.904 6 ↓
Mid Mid (pH 6-8) 3.37 10.02 -54.55 1 7 1 73 427.912 6 ↓

Analogs

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Popular Name: 2,4-dimethyl-5-[4-[(1R)-1-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]benzenesulfo 2,4-dimethyl-5-[4-[(1R)-1-[3-(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) 2.76 3.73 -18.7 2 9 0 123 483.594 5 ↓
Lo Low (pH 4.5-6) 2.76 5.9 -52.16 3 9 1 124 484.602 5 ↓

Analogs

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Popular Name: 2,4-dimethyl-5-[4-[(1S)-1-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]benzenesulfo 2,4-dimethyl-5-[4-[(1S)-1-[3-(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) 2.76 3.73 -21.14 2 9 0 123 483.594 5 ↓
Lo Low (pH 4.5-6) 2.76 5.91 -56.56 3 9 1 124 484.602 5 ↓

Analogs

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Popular Name: [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone [4-[[3-(4-chlorophenyl)-1,2,4-ox…

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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) 3.04 6.01 -13.58 0 7 0 72 412.877 5 ↓

Analogs

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Popular Name: (5-ethyl-2-hydroxy-phenyl)-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin- (5-ethyl-2-hydroxy-phenyl)-[4-[[…

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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) 4.55 6.48 -13.9 1 7 0 83 460.456 6 ↓
Hi High (pH 8-9.5) 4.55 7.31 -57 0 7 -1 86 459.448 6 ↓
Lo Low (pH 4.5-6) 4.55 8.75 -61.06 2 7 1 84 461.464 6 ↓

Analogs

24208930
24208930
26358903
26358903
12759448
12759448

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Popular Name: (4-methoxyphenyl)-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone (4-methoxyphenyl)-[4-[[3-(4-meth…

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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) 2.42 4.82 -15.08 0 8 0 81 408.458 6 ↓

Analogs

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Popular Name: [4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone [4-[[3-(4-methoxyphenyl)-1,2,4-o…

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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) 3.29 6.52 -14.66 0 8 0 81 436.512 8 ↓

Analogs

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Popular Name: (2-chloro-6-fluoro-phenyl)-[4-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone (2-chloro-6-fluoro-phenyl)-[4-[(…

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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) 3.61 7.33 -16.74 0 6 0 62 414.868 4 ↓
Lo Low (pH 4.5-6) 3.61 9.5 -48.67 1 6 1 64 415.876 4 ↓

Analogs

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Popular Name: (2-chloro-6-fluoro-phenyl)-[4-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone (2-chloro-6-fluoro-phenyl)-[4-[(…

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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) 3.61 7.32 -14.55 0 6 0 62 414.868 4 ↓
Lo Low (pH 4.5-6) 3.61 9.5 -46.77 1 6 1 64 415.876 4 ↓

Analogs

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Popular Name: (3-chloro-4,5-dimethoxy-phenyl)-[4-[(1R)-1-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]me (3-chloro-4,5-dimethoxy-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) 3.76 9.41 -54.88 1 8 1 82 471.965 6 ↓
Mid Mid (pH 6-8) 3.76 7.22 -15.16 0 8 0 81 470.957 6 ↓

Analogs

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Popular Name: (3-chloro-4,5-dimethoxy-phenyl)-[4-[(1S)-1-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]me (3-chloro-4,5-dimethoxy-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) 3.76 9.41 -52.65 1 8 1 82 471.965 6 ↓
Mid Mid (pH 6-8) 3.76 7.22 -13.03 0 8 0 81 470.957 6 ↓

Analogs

31562290
31562290
31562289
31562289
31562276
31562276
31562275
31562275
31562272
31562272

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Popular Name: phenyl-[4-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone phenyl-[4-[(1S)-1-(3-phenyl-1,2,…

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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) 2.86 6.7 -12.42 0 6 0 62 362.433 4 ↓
Mid Mid (pH 6-8) 2.86 8.88 -47.29 1 6 1 64 363.441 4 ↓

Analogs

31562290
31562290
31562289
31562289
31562276
31562276
31562275
31562275
31562272
31562272

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Popular Name: phenyl-[4-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone phenyl-[4-[(1R)-1-(3-phenyl-1,2,…

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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) 2.86 6.7 -14.86 0 6 0 62 362.433 4 ↓
Mid Mid (pH 6-8) 2.86 8.88 -49.67 1 6 1 64 363.441 4 ↓

Analogs

31562286
31562286
31562285
31562285
31536358
31536358

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Popular Name: (2-chlorophenyl)-[4-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone (2-chlorophenyl)-[4-[(1S)-1-(3-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) 3.49 7.18 -13.43 0 6 0 62 396.878 4 ↓
Mid Mid (pH 6-8) 3.49 9.35 -48.09 1 6 1 64 397.886 4 ↓

Analogs

31562286
31562286
31562285
31562285
31536358
31536358

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Popular Name: (2-chlorophenyl)-[4-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone (2-chlorophenyl)-[4-[(1R)-1-(3-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) 3.49 7.25 -15.75 0 6 0 62 396.878 4 ↓
Mid Mid (pH 6-8) 3.49 9.35 -50.96 1 6 1 64 397.886 4 ↓

Parameters Provided:

ring.id = 19436
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 = 19436 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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