UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12850532
12850532
9781231
9781231

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Popular Name: [(5R,7S)-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[(2 [(5R,7S)-5-(4-chlorophenyl)-7-(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) 4.92 10.26 -11.65 1 5 0 50 440.897 3 ↓

Analogs

12850532
12850532
9781231
9781231

Draw Identity 99% 90% 80% 70%

Popular Name: [(5R,7S)-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[(2 [(5R,7S)-5-(4-chlorophenyl)-7-(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) 4.92 11.21 -10.24 1 5 0 50 440.897 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(5R,7R)-3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrim [(5R,7R)-3-chloro-5-(3,4-dimetho…

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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) 4.16 9.13 -14.39 1 7 0 69 486.922 5 ↓
Mid Mid (pH 6-8) 4.34 8.69 -36.64 2 7 1 73 487.93 5 ↓

Analogs

5200768
5200768
5200770
5200770
9418622
9418622
12849806
12849806
12849812
12849812

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Popular Name: (2-ethyl-1-piperidyl)-[3-phenyl-5-(trifluoromethyl)-2,6,7-triazabicyclo[4.3.0]nona-7,9-dien-8-yl]-me (2-ethyl-1-piperidyl)-[3-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) 4.45 0.95 -9.08 1 5 0 50 406.452 4 ↓

Analogs

5200770
5200770
9418622
9418622
12849806
12849806
12849812
12849812
13630102
13630102

Draw Identity 99% 90% 80% 70%

Popular Name: (2-ethyl-1-piperidyl)-[3-phenyl-5-(trifluoromethyl)-2,6,7-triazabicyclo[4.3.0]nona-7,9-dien-8-yl]-me (2-ethyl-1-piperidyl)-[3-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) 4.45 10.04 -10.66 1 5 0 50 406.452 4 ↓

Analogs

9418622
9418622
12849806
12849806
12849812
12849812
13630102
13630102
5200763
5200763

Draw Identity 99% 90% 80% 70%

Popular Name: (2-ethyl-1-piperidyl)-[3-phenyl-5-(trifluoromethyl)-2,6,7-triazabicyclo[4.3.0]nona-7,9-dien-8-yl]-me (2-ethyl-1-piperidyl)-[3-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) 4.45 10.05 -10.58 1 5 0 50 406.452 4 ↓

Analogs

2474735
2474735
2474737
2474737

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Popular Name: (4-methyl-1-piperidyl)-[4-(p-tolyl)-2-(trifluoromethyl)-1,5,9-triazabicyclo[4.3.0]nona-6,8-dien-8-yl (4-methyl-1-piperidyl)-[4-(p-tol…

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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) 4.27 10.82 -9.97 1 5 0 50 406.452 3 ↓

Analogs

2474735
2474735
2474737
2474737

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methyl-1-piperidyl)-[4-(p-tolyl)-2-(trifluoromethyl)-1,5,9-triazabicyclo[4.3.0]nona-6,8-dien-8-yl (4-methyl-1-piperidyl)-[4-(p-tol…

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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) 4.27 10.12 -11.29 1 5 0 50 406.452 3 ↓

Analogs

2474735
2474735
2474737
2474737

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methyl-1-piperidyl)-[4-(p-tolyl)-2-(trifluoromethyl)-1,5,9-triazabicyclo[4.3.0]nona-6,8-dien-8-yl (4-methyl-1-piperidyl)-[4-(p-tol…

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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) 4.27 10.09 -11.33 1 5 0 50 406.452 3 ↓

Analogs

2474735
2474735
2474737
2474737

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methyl-1-piperidyl)-[4-(p-tolyl)-2-(trifluoromethyl)-1,5,9-triazabicyclo[4.3.0]nona-6,8-dien-8-yl (4-methyl-1-piperidyl)-[4-(p-tol…

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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) 4.27 10.85 -9.71 1 5 0 50 406.452 3 ↓

Parameters Provided:

ring.id = 228617
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 = 228617 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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