UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[(4-isopropyl-3-nitro-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione 4-[(4-isopropyl-3-nitro-phenyl)m…

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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) 3.01 0.8 -10.74 1 7 0 100 351.362 4 ↓

Analogs

15938864
15938864

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Popular Name: (4E)-4-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-1-(p-tolyl)pyrazolidine-3,5-dione (4E)-4-[(4-hydroxy-3-methoxy-5-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) 1.98 6.16 -16.76 2 9 0 130 369.333 4 ↓

Analogs

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Popular Name: (4Z)-4-[(4-nitrophenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione (4Z)-4-[(4-nitrophenyl)methylene…

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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) 2.04 7.61 -12.46 1 7 0 101 309.281 3 ↓

Analogs

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Popular Name: (4Z)-4-[(4-fluorophenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione (4Z)-4-[(4-fluorophenyl)methylen…

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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) 2.24 7 -9.17 1 4 0 55 282.274 2 ↓

Analogs

359740
359740

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Popular Name: (4Z)-4-[(4-methoxyphenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione (4Z)-4-[(4-methoxyphenyl)methyle…

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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) 2.14 6.26 -9.8 1 5 0 64 294.31 3 ↓

Analogs

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Popular Name: (4Z)-4-[(4-chlorophenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione (4Z)-4-[(4-chlorophenyl)methylen…

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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 7.46 -8.65 1 4 0 55 298.729 2 ↓

Analogs

666824
666824

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Popular Name: 2-[2-ethoxy-4-[(Z)-[1-(4-methoxycarbonylphenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]phenoxy]aceti 2-[2-ethoxy-4-[(Z)-[1-(4-methoxy…

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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) 1.52 8.21 -59.2 1 10 -1 140 439.4 9 ↓

Analogs

2996823
2996823

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Popular Name: 4-[3-methoxy-4-(2-propynyloxy)benzylidene]-1-phenyl-3,5-pyrazolidinedione 4-[3-methoxy-4-(2-propynyloxy)be…

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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) 1.89 7.63 -13.04 1 6 0 73 348.358 5 ↓

Analogs

2138947
2138947
2998110
2998110

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Popular Name: (4Z)-1-(4-fluorophenyl)-4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylene]pyrazolidine-3,5-dione (4Z)-1-(4-fluorophenyl)-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) 2.05 7.7 -12.79 1 6 0 73 366.348 5 ↓

Analogs

6599841
6599841

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Popular Name: ethyl ethyl

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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) 2.43 9.21 -14.86 1 8 0 100 420.421 8 ↓

Analogs

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Popular Name: (4E)-4-[(4-isopropoxyphenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione (4E)-4-[(4-isopropoxyphenyl)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) 2.88 7.83 -10.26 1 5 0 64 322.364 4 ↓
Hi High (pH 8-9.5) 3.33 6.33 -48.45 0 5 -1 67 321.356 4 ↓

Analogs

666567
666567

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Popular Name: 4-{4-[isopentyl(methyl)amino]benzylidene}-1-phenyl-3,5-pyrazolidinedione 4-{4-[isopentyl(methyl)amino]ben…

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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) 3.84 10.32 -9.67 1 5 0 58 363.461 6 ↓

Analogs

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Popular Name: (4Z)-4-(m-tolylmethylene)-1-phenyl-pyrazolidine-3,5-dione (4Z)-4-(m-tolylmethylene)-1-phen…

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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) 2.50 7.6 -8.9 1 4 0 55 278.311 2 ↓

Analogs

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Popular Name: (4-{[1-(3,4-dichlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}-2-methoxyphenoxy)acetonitrile (4-{[1-(3,4-dichlorophenyl)-3,5-…

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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) 3.01 0.66 -16.67 1 7 0 97 418.236 5 ↓

Analogs

32099421
32099421

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Popular Name: (4E)-4-(4-allyloxy-3-methoxy-benzylidene)-1-(3,4-dimethylphenyl)pyrazolidine-3,5-quinone (4E)-4-(4-allyloxy-3-methoxy-ben…

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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 0.92 -11.47 1 6 0 73 378.428 6 ↓

Analogs

32109805
32109805
1151549
1151549

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Popular Name: 1-phenyl-4-(p-tolylmethylene)pyrazolidine-3,5-dione 1-phenyl-4-(p-tolylmethylene)pyr…

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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) 2.53 -0.2 -8.93 1 4 0 54 278.311 2 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.99 -0.97 -11.66 2 7 0 101 366.373 5 ↓

Analogs

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Popular Name: 1-(3,4-dimethylphenyl)-4-[(2-hydroxy-3-methoxy-phenyl)methylene]pyrazolidine-3,5-dione 1-(3,4-dimethylphenyl)-4-[(2-hyd…

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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) 2.66 -1.43 -10.07 2 6 0 84 338.363 3 ↓

Analogs

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Popular Name: 4-[(4-methoxyphenyl)methylene]-1-[3-(trifluoromethyl)phenyl]-pyrazolidine-3,5-dione 4-[(4-methoxyphenyl)methylene]-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) 3.22 1.67 -9.05 1 5 0 64 362.307 4 ↓

Analogs

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Popular Name: 1-(3-chloro-4-fluoro-phenyl)-4-[(2-hydroxy-3-methoxy-phenyl)methylene]pyrazolidine-3,5-dione 1-(3-chloro-4-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) 2.60 -1.47 -9.33 2 6 0 84 362.744 3 ↓

Analogs

184084
184084

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Popular Name: 1-(4-ethylphenyl)-4-[(4-methoxyphenyl)methylene]pyrazolidine-3,5-dione 1-(4-ethylphenyl)-4-[(4-methoxyp…

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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 -0.01 -9.42 1 5 0 64 322.364 4 ↓

Analogs

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Popular Name: (4Z)-1-(3,4-dichlorophenyl)-4-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]pyrazolidine-3,5-dione (4Z)-1-(3,4-dichlorophenyl)-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) 3.03 6.45 -15.35 2 9 0 130 424.196 4 ↓
Hi High (pH 8-9.5) 3.49 5.76 -94.98 0 9 -2 136 422.18 4 ↓
Mid Mid (pH 6-8) 3.03 7.52 -50.55 1 9 -1 133 423.188 4 ↓

Analogs

16312210
16312210
16678471
16678471
437399
437399
483045
483045

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Popular Name: (4Z)-1-(3,4-dimethylphenyl)-4-[[4-(ethyl-methyl-amino)phenyl]methylene]pyrazolidine-3,5-dione (4Z)-1-(3,4-dimethylphenyl)-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) 3.60 9.51 -9.84 1 5 0 58 349.434 4 ↓

Analogs

27501281
27501281
33784295
33784295
36108074
36108074
13520866
13520866

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Popular Name: (4Z)-4-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione (4Z)-4-[(4-hydroxy-3-methoxy-5-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) 1.54 5.48 -16.92 2 9 0 130 355.306 4 ↓

Analogs

16196162
16196162
678065
678065

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Popular Name: ethyl (4-{[1-(3-bromophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}-2-methoxyphenoxy)acetate ethyl (4-{[1-(3-bromophenyl)-3,5…

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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) 2.96 9.18 -15.41 1 8 0 100 475.295 8 ↓

Analogs

16667681
16667681
33315190
33315190
437633
437633
1021011
1021011

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Popular Name: (4Z)-4-[(3,4-dimethoxyphenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione (4Z)-4-[(3,4-dimethoxyphenyl)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) 1.73 6.16 -11.54 1 6 0 73 324.336 4 ↓

Parameters Provided:

ring.id = 2068
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 2068 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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