UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12032998
12032998
12032999
12032999
12033002
12033002
8910607
8910607
8910612
8910612

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Popular Name: (3R)-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-5-oxo-1-phenyl-pyrrolidine (3R)-N-[2-(4-nitrophenyl)-5,5-di…

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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) 1.38 -3.57 -26.58 1 11 0 147 481.49 5 ↓

Analogs

8910611
8910611

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Popular Name: (3S)-1-(3-methoxyphenyl)-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-5-oxo- (3S)-1-(3-methoxyphenyl)-N-[2-(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) 1.41 -3.46 -31.46 1 12 0 156 511.516 6 ↓

Analogs

12032997
12032997

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Popular Name: (3S)-1-(4-methoxyphenyl)-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-5-oxo- (3S)-1-(4-methoxyphenyl)-N-[2-(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) 1.44 -3.56 -30.4 1 12 0 156 511.516 6 ↓

Analogs

12032996
12032996

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Popular Name: (3R)-1-(4-methoxyphenyl)-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-5-oxo- (3R)-1-(4-methoxyphenyl)-N-[2-(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) 1.44 -3.49 -30.93 1 12 0 156 511.516 6 ↓

Analogs

12032999
12032999
12033002
12033002
12032994
12032994
8910612
8910612
8910607
8910607

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Popular Name: (3S)-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-1-(o-tolyl)-5-oxo-pyrrolid (3S)-N-[2-(4-nitrophenyl)-5,5-di…

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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) 1.78 -2.62 -26.18 1 11 0 147 495.517 5 ↓

Analogs

12033002
12033002
12032994
12032994
12032998
12032998
8910612
8910612

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-1-(o-tolyl)-5-oxo-pyrrolid (3R)-N-[2-(4-nitrophenyl)-5,5-di…

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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) 1.78 -2.48 -26.05 1 11 0 147 495.517 5 ↓

Analogs

12033001
12033001
12033006
12033006
8910615
8910615

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Popular Name: (3S)-1-(m-tolyl)-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-5-oxo-pyrrolid (3S)-1-(m-tolyl)-N-[2-(4-nitroph…

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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) 1.80 -3.16 -28.33 1 11 0 147 495.517 5 ↓

Analogs

12033006
12033006
12033000
12033000
8910615
8910615

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(m-tolyl)-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-5-oxo-pyrrolid (3R)-1-(m-tolyl)-N-[2-(4-nitroph…

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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) 1.80 -3.17 -30.06 1 11 0 147 495.517 5 ↓

Analogs

12032994
12032994
12032998
12032998
12032999
12032999

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Popular Name: (3R)-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-5-oxo-1-(p-tolyl)pyrrolidi (3R)-N-[2-(4-nitrophenyl)-5,5-di…

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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) 1.83 -3.25 -26.64 1 11 0 147 495.517 5 ↓

Analogs

8910614
8910614

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Popular Name: (3S)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-5-oxo-p (3S)-1-(4-fluorophenyl)-N-[2-(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) 1.54 -2.83 -30.02 1 11 0 147 499.48 5 ↓

Analogs

12033005
12033005

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Popular Name: (3S)-1-(4-chlorophenyl)-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-5-oxo-p (3S)-1-(4-chlorophenyl)-N-[2-(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) 2.06 -3.71 -29.44 1 11 0 147 515.935 5 ↓

Analogs

12033004
12033004

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Popular Name: (3R)-1-(4-chlorophenyl)-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-5-oxo-p (3R)-1-(4-chlorophenyl)-N-[2-(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) 2.06 -3.72 -26.52 1 11 0 147 515.935 5 ↓

Analogs

12033000
12033000
12033001
12033001
8910615
8910615

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(3,4-dimethylphenyl)-N-[2-(4-nitrophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-5-o (3R)-1-(3,4-dimethylphenyl)-N-[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) 2.20 -2.95 -30.23 1 11 0 147 509.544 5 ↓

Analogs

8910638
8910638
8910639
8910639
8910640
8910640

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Popular Name: (3S)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-5-oxo-1-phenyl-pyrrol (3S)-N-[2-(2,4-dimethylphenyl)-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) 2.46 -3.38 -22.68 1 8 0 101 464.547 4 ↓

Analogs

12033019
12033019
8910424
8910424
8910425
8910425

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Popular Name: (3S)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-1-(2-methoxyphenyl)-5 (3S)-N-[2-(2,4-dimethylphenyl)-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) 2.47 -3.05 -27.98 1 9 0 111 494.573 5 ↓

Analogs

12033018
12033018
8910424
8910424
8910425
8910425

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Popular Name: (3R)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-1-(2-methoxyphenyl)-5 (3R)-N-[2-(2,4-dimethylphenyl)-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) 2.47 -3 -24.81 1 9 0 111 494.573 5 ↓

Analogs

12033021
12033021
8910426
8910426
8910428
8910428

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Popular Name: (3S)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-1-(3-methoxyphenyl)-5 (3S)-N-[2-(2,4-dimethylphenyl)-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) 2.49 -3.4 -29.14 1 9 0 111 494.573 5 ↓

Analogs

12033020
12033020
8910426
8910426
8910428
8910428

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-1-(3-methoxyphenyl)-5 (3R)-N-[2-(2,4-dimethylphenyl)-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) 2.49 -3.3 -30.06 1 9 0 111 494.573 5 ↓

Analogs

12033023
12033023
8910429
8910429
8910431
8910431

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Popular Name: (3S)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-1-(4-methoxyphenyl)-5 (3S)-N-[2-(2,4-dimethylphenyl)-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) 2.51 -3.39 -30.15 1 9 0 111 494.573 5 ↓

Analogs

12033022
12033022
8910429
8910429
8910431
8910431

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Popular Name: (3R)-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-d]pyrazol-3-yl]-1-(4-methoxyphenyl)-5 (3R)-N-[2-(2,4-dimethylphenyl)-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) 2.51 -3.32 -27.39 1 9 0 111 494.573 5 ↓

Parameters Provided:

ring.id = 81798
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 = 81798 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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