UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36164199
36164199
37841064
37841064
37841065
37841065

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Popular Name: N-[(1R)-indan-1-yl]-N-methyl-1H-pyrazole-4-carboxamide N-[(1R)-indan-1-yl]-N-methyl-1H-…

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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) 1.06 5.55 -12.95 1 4 0 49 241.294 2 ↓

Analogs

37841064
37841064
37841065
37841065
36164196
36164196

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Popular Name: N-[(1S)-indan-1-yl]-N-methyl-1H-pyrazole-4-carboxamide N-[(1S)-indan-1-yl]-N-methyl-1H-…

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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) 1.06 5.7 -9.91 1 4 0 49 241.294 2 ↓

Analogs

36164205
36164205
37841066
37841066
37841067
37841067
37841717
37841717
37841718
37841718

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Popular Name: N-[(1R)-indan-1-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide N-[(1R)-indan-1-yl]-N,3,5-trimet…

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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) 1.50 6.98 -10.44 1 4 0 49 269.348 2 ↓

Analogs

37841066
37841066
37841067
37841067
37841717
37841717
37841718
37841718
37841777
37841777

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Popular Name: N-[(1S)-indan-1-yl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide N-[(1S)-indan-1-yl]-N,3,5-trimet…

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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) 1.50 7.11 -9.91 1 4 0 49 269.348 2 ↓

Analogs

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Popular Name: N-[(1R,2S)-2-hydroxyindan-1-yl]-1H-pyrazole-4-carboxamide N-[(1R,2S)-2-hydroxyindan-1-yl]-…

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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) 0.37 1.31 -11.67 3 5 0 78 243.266 2 ↓

Analogs

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Popular Name: N-[(1R,2R)-2-hydroxyindan-1-yl]-1H-pyrazole-4-carboxamide N-[(1R,2R)-2-hydroxyindan-1-yl]-…

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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) 0.37 0.94 -14.21 3 5 0 78 243.266 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-hydroxyindan-1-yl]-1H-pyrazole-4-carboxamide N-[(1S,2S)-2-hydroxyindan-1-yl]-…

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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) 0.37 0.86 -13.03 3 5 0 78 243.266 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-hydroxyindan-1-yl]-1H-pyrazole-4-carboxamide N-[(1S,2R)-2-hydroxyindan-1-yl]-…

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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) 0.37 1.2 -11.74 3 5 0 78 243.266 2 ↓

Analogs

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Popular Name: N-(2-chloroallyl)-N-[(1R)-indan-1-yl]-1-methyl-pyrazole-4-carboxamide N-(2-chloroallyl)-N-[(1R)-indan-…

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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) 2.11 8.82 -11.34 0 4 0 38 315.804 4 ↓

Analogs

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Popular Name: N-(2-chloroallyl)-N-[(1S)-indan-1-yl]-1-methyl-pyrazole-4-carboxamide N-(2-chloroallyl)-N-[(1S)-indan-…

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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) 2.11 8.89 -11.79 0 4 0 38 315.804 4 ↓

Analogs

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Popular Name: 1-ethyl-N-[(1R)-5-fluoroindan-1-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide 1-ethyl-N-[(1R)-5-fluoroindan-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) 3.00 7.36 -11.59 1 4 0 47 341.308 4 ↓

Analogs

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Popular Name: 1-ethyl-N-[(1S)-5-fluoroindan-1-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide 1-ethyl-N-[(1S)-5-fluoroindan-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) 3.00 7.3 -11.3 1 4 0 47 341.308 4 ↓

Analogs

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Popular Name: N-[(1S)-indan-1-yl]-1H-pyrazole-4-carboxamide N-[(1S)-indan-1-yl]-1H-pyrazole-…

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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) 1.29 4.31 -10.91 2 4 0 58 227.267 2 ↓

Analogs

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Popular Name: N-[(1R)-indan-1-yl]-1H-pyrazole-4-carboxamide N-[(1R)-indan-1-yl]-1H-pyrazole-…

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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) 1.29 4.24 -10.78 2 4 0 58 227.267 2 ↓

Analogs

42190625
42190625
42190627
42190627
42190629
42190629
42190631
42190631

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Popular Name: N-[(1R)-4-chloroindan-1-yl]-1,5-dimethyl-pyrazole-4-carboxamide N-[(1R)-4-chloroindan-1-yl]-1,5-…

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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) 2.21 6.63 -9.86 1 4 0 47 289.766 2 ↓

Analogs

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Popular Name: N-[(1S)-4-chloroindan-1-yl]-1,5-dimethyl-pyrazole-4-carboxamide N-[(1S)-4-chloroindan-1-yl]-1,5-…

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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) 2.21 6.58 -9.9 1 4 0 47 289.766 2 ↓

Analogs

42189003
42189003
42189005
42189005
42189007
42189007
42189008
42189008

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Popular Name: N-[(1R)-5-chloroindan-1-yl]-1-methyl-pyrazole-4-carboxamide N-[(1R)-5-chloroindan-1-yl]-1-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) 2.01 6.14 -10.95 1 4 0 47 275.739 2 ↓

Analogs

42189003
42189003
42189005
42189005
42189007
42189007
42189008
42189008

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Popular Name: N-[(1S)-5-chloroindan-1-yl]-1-methyl-pyrazole-4-carboxamide N-[(1S)-5-chloroindan-1-yl]-1-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) 2.01 6.09 -10.82 1 4 0 47 275.739 2 ↓

Analogs

55656793
55656793
55656794
55656794

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Popular Name: N-[(1R)-4-fluoroindan-1-yl]-1-methyl-pyrazole-4-carboxamide N-[(1R)-4-fluoroindan-1-yl]-1-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) 1.47 5.71 -10.73 1 4 0 47 259.284 2 ↓

Analogs

55656793
55656793
55656794
55656794

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-4-fluoroindan-1-yl]-1-methyl-pyrazole-4-carboxamide N-[(1S)-4-fluoroindan-1-yl]-1-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) 1.47 5.64 -10.78 1 4 0 47 259.284 2 ↓

Parameters Provided:

ring.id = 81109
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 = 81109 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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