UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5Z)-5-[(2-isopropoxyphenyl)methylene]-2-thioxo-imidazolidin-4-one (5Z)-5-[(2-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) 1.83 -2.19 -9.54 2 4 0 58 262.334 3 ↓

Analogs

71603
71603

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Popular Name: (5Z)-5-[(2-ethoxyphenyl)methylene]-2-thioxo-imidazolidin-4-one (5Z)-5-[(2-ethoxyphenyl)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) 1.47 5.25 -9.73 2 4 0 58 248.307 3 ↓

Analogs

39973
39973

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Popular Name: (5Z)-5-[(4-fluorophenyl)methylene]-2-thioxo-imidazolidin-4-one (5Z)-5-[(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) 1.24 5.05 -11.23 2 3 0 49 222.244 1 ↓

Analogs

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Popular Name: (5Z)-5-[(3-chloro-4-hydroxy-phenyl)methylene]-2-thioxo-imidazolidin-4-one (5Z)-5-[(3-chloro-4-hydroxy-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) 1.47 2.34 -17.29 3 4 0 69 254.698 1 ↓
Mid Mid (pH 6-8) 1.47 3 -50.32 2 4 -1 72 253.69 1 ↓

Analogs

17123265
17123265

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Popular Name: 2-[2-[(Z)-(5-keto-2-thioxo-imidazolidin-4-ylidene)methyl]-6-methoxy-phenoxy]acetonitrile 2-[2-[(Z)-(5-keto-2-thioxo-imida…

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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) 0.69 -0.95 -15.6 2 6 0 90 289.316 4 ↓

Analogs

3464435
3464435

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Popular Name: 3-ethyl-5-[3-methoxy-4-(2-propynyloxy)benzylidene]-2-thioxo-4-imidazolidinone 3-ethyl-5-[3-methoxy-4-(2-propyn…

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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) 1.33 1.11 -14.13 1 5 0 56 316.382 5 ↓

Analogs

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Popular Name: 5-(4-methoxy-3-methylbenzylidene)-2-thioxo-4-imidazolidinone 5-(4-methoxy-3-methylbenzylidene…

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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) 1.51 5.03 -10.97 2 4 0 58 248.307 2 ↓

Analogs

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Popular Name: (5E)-5-[(2,3-dimethoxyphenyl)methylene]-3-propyl-2-thioxo-imidazolidin-4-one (5E)-5-[(2,3-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) 1.85 7.63 -10.46 1 5 0 56 306.387 5 ↓

Analogs

2792179
2792179
2792356
2792356
2788941
2788941
2790850
2790850
2791788
2791788

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Popular Name: (5E)-5-(3-ethoxy-4-hydroxy-benzylidene)-3-(3-methoxypropyl)-2-thioxo-4-imidazolidinone (5E)-5-(3-ethoxy-4-hydroxy-benzy…

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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) 1.12 5.4 -19.9 2 6 0 76 336.413 7 ↓

Analogs

2791879
2791879

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Popular Name: (5Z)-5-[4-(difluoromethoxy)-3-ethoxy-benzylidene]-3-ethyl-2-thioxo-4-imidazolidinone (5Z)-5-[4-(difluoromethoxy)-3-et…

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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) 2.10 8.3 -14.26 1 5 0 56 342.367 6 ↓

Analogs

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Popular Name: (5Z)-3-butyl-5-[4-(difluoromethoxy)-3-ethoxy-benzylidene]-2-thioxo-4-imidazolidinone (5Z)-3-butyl-5-[4-(difluorometho…

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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) 3.17 9.84 -13.94 1 5 0 56 370.421 8 ↓

Analogs

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Popular Name: (5E)-3-butyl-5-[(2,3-dimethoxyphenyl)methylene]-2-thioxo-imidazolidin-4-one (5E)-3-butyl-5-[(2,3-dimethoxyph…

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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) 2.41 8.41 -10.41 1 5 0 56 320.414 6 ↓

Analogs

3462640
3462640
4363981
4363981
475221
475221

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Popular Name: 2-[4-[(E)-(1-allyl-5-keto-3-methyl-2-thioxo-imidazolidin-4-ylidene)methyl]-2-chloro-6-ethoxy-phenoxy 2-[4-[(E)-(1-allyl-5-keto-3-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) 1.42 -1.25 -23.87 2 7 0 88 409.895 8 ↓

Analogs

9296392
9296392
9296403
9296403
15019170
15019170
20608699
20608699
1113191
1113191

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Popular Name: 2-[4-[(E)-(1-allyl-5-keto-3-methyl-2-thioxo-imidazolidin-4-ylidene)methyl]-2-ethoxy-6-iodo-phenoxy]a 2-[4-[(E)-(1-allyl-5-keto-3-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) 2.34 11.51 -61.92 0 7 -1 86 501.322 8 ↓

Analogs

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Popular Name: (5Z)-5-[(3,4-dihydroxyphenyl)methylene]-2-thioxo-imidazolidin-4-one (5Z)-5-[(3,4-dihydroxyphenyl)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) 0.11 -0.31 -15.96 4 5 0 89 236.252 1 ↓

Analogs

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Popular Name: (5Z)-3-ethyl-5-[(4-hydroxy-3-nitro-phenyl)methylene]-1-methyl-2-thioxo-imidazolidin-4-one (5Z)-3-ethyl-5-[(4-hydroxy-3-nit…

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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) 1.26 7.54 -15.73 1 7 0 93 307.331 3 ↓

Parameters Provided:

ring.id = 100268
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 = 100268 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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