UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 4.29 12.09 -13.55 1 7 0 94 434.423 7 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.91 11.17 -13.83 1 7 0 94 420.396 6 ↓

Analogs

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Popular Name: 4-[5-[(E)-[1-[(4-bromophenyl)methyl]-2,5-dioxo-imidazolidin-4-ylidene]methyl]-2-furyl]-2-chloro-benz 4-[5-[(E)-[1-[(4-bromophenyl)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) 4.56 11.98 -58.07 1 7 -1 108 500.712 5 ↓

Analogs

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Popular Name: 4-(5-{[1-(2-fluorobenzyl)-2,5-dioxo-4-imidazolidinylidene]methyl}-2-furyl)benzoic acid 4-(5-{[1-(2-fluorobenzyl)-2,5-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) 3.60 10.82 -62.94 1 7 -1 108 405.361 5 ↓

Analogs

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Popular Name: (5E)-5-[[5-(5-chloro-2-methyl-phenyl)-2-furyl]methylene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4 (5E)-5-[[5-(5-chloro-2-methyl-ph…

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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) 4.75 12.4 -13.07 1 5 0 68 410.832 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 3.88 11.67 -17.19 1 7 0 94 434.423 6 ↓

Analogs

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Popular Name: 4-[5-[(Z)-[1-[(4-chlorophenyl)methyl]-2,5-dioxo-imidazolidin-4-ylidene]methyl]-2-furyl]-3-methyl-ben 4-[5-[(Z)-[1-[(4-chlorophenyl)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) 4.54 11.28 -54.96 1 7 -1 108 435.843 5 ↓

Analogs

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Popular Name: 4-[5-[(E)-[1-[(4-fluorophenyl)methyl]-2,5-dioxo-imidazolidin-4-ylidene]methyl]-2-furyl]benzoic 4-[5-[(E)-[1-[(4-fluorophenyl)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) 3.65 11.03 -59.21 1 7 -1 108 405.361 5 ↓

Analogs

4545351
4545351

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Popular Name: (5Z)-3-[(4-chlorophenyl)methyl]-5-[[5-(3-fluorophenyl)-2-furyl]methylene]imidazolidine-2,4-dione (5Z)-3-[(4-chlorophenyl)methyl]-…

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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) 4.39 11.02 -9.11 1 5 0 68 396.805 4 ↓

Analogs

27551282
27551282

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Popular Name: (5E)-3-(4-chlorobenzyl)-5-[[5-(3-chlorophenyl)-2-furyl]methylene]hydantoin (5E)-3-(4-chlorobenzyl)-5-[[5-(3…

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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) 4.91 0.77 -12.59 1 5 0 68 413.26 4 ↓

Analogs

13749973
13749973

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Popular Name: 4-chloro-3-[5-[(E)-[1-[(2-fluorophenyl)methyl]-2,5-dioxo-imidazolidin-4-ylidene]methyl]-2-furyl]benz 4-chloro-3-[5-[(E)-[1-[(2-fluoro…

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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) 4.21 11.42 -60.35 1 7 -1 108 439.806 5 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 229561 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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