UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[(4E)-5-keto-1-(3-methoxypropyl)-4-[(1-methylpyrazol-4-yl)methylene]-2-imidazolin-2-yl]thio]aceta 2-[[(4E)-5-keto-1-(3-methoxyprop…

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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) -0.56 -3.05 -19.96 2 8 0 105 337.405 8 ↓

Analogs

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Popular Name: 2-[[(4E)-1-ethyl-4-[(1-ethylpyrazol-4-yl)methylene]-5-keto-2-imidazolin-2-yl]thio]acetamide 2-[[(4E)-1-ethyl-4-[(1-ethylpyra…

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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) -0.06 -2.38 -18.4 2 7 0 95 307.379 6 ↓

Analogs

2785634
2785634
2785842
2785842
2785968
2785968

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Popular Name: 2-[[(4E)-4-[(1,3-dimethylpyrazol-4-yl)methylene]-5-keto-1-(3-methoxypropyl)-2-imidazolin-2-yl]thio]a 2-[[(4E)-4-[(1,3-dimethylpyrazol…

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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) 1.17 1.06 -12.7 0 8 0 88 380.47 10 ↓

Analogs

6401111
6401111
6401131
6401131
2785559
2785559

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Popular Name: 2-[[(4Z)-4-[(1,3-dimethylpyrazol-4-yl)methylene]-1-ethyl-5-keto-2-imidazolin-2-yl]thio]acetic-acid-e 2-[[(4Z)-4-[(1,3-dimethylpyrazol…

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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) 1.29 2.34 -13.37 0 7 0 79 336.417 7 ↓

Analogs

2785892
2785892
2786051
2786051
2786071
2786071
6387741
6387741
6401111
6401111

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Popular Name: 2-[[(4E)-4-[(1,3-dimethylpyrazol-4-yl)methylene]-1-isobutyl-5-keto-2-imidazolin-2-yl]thio]acetamide 2-[[(4E)-4-[(1,3-dimethylpyrazol…

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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) 0.53 -2.03 -14.05 2 7 0 95 335.433 6 ↓

Analogs

2785968
2785968

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Popular Name: 2-[[(4E)-1-isobutyl-5-keto-4-[(1-methylpyrazol-4-yl)methylene]-2-imidazolin-2-yl]thio]acetic-acid-et 2-[[(4E)-1-isobutyl-5-keto-4-[(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) 1.82 1.88 -14.62 0 7 0 79 350.444 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(4Z)-1-ethyl-4-[(1-ethylpyrazol-4-yl)methylene]-5-keto-2-imidazolin-2-yl]thio]acetic-acid-ethyl- 2-[[(4Z)-1-ethyl-4-[(1-ethylpyra…

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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) 1.45 2.3 -14.1 0 7 0 79 336.417 8 ↓

Analogs

6401131
6401131
2785559
2785559
2785691
2785691

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Popular Name: 2-[[(4E)-4-[(1,3-dimethylpyrazol-4-yl)methylene]-1-isobutyl-5-keto-2-imidazolin-2-yl]thio]acetic-aci 2-[[(4E)-4-[(1,3-dimethylpyrazol…

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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 1.98 -11.17 0 7 0 79 364.471 8 ↓

Analogs

2785657
2785657

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Popular Name: 2-[[(4E)-4-[(1,3-dimethylpyrazol-4-yl)methylene]-5-keto-1-(3-methoxypropyl)-2-imidazolin-2-yl]thio]a 2-[[(4E)-4-[(1,3-dimethylpyrazol…

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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) -0.34 -2.95 -15.69 2 8 0 105 351.432 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(4E)-5-keto-1-(3-methoxypropyl)-4-[(1-methylpyrazol-4-yl)methylene]-2-imidazolin-2-yl]thio]aceti 2-[[(4E)-5-keto-1-(3-methoxyprop…

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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) 0.95 0.96 -16.86 0 8 0 88 366.443 10 ↓

Analogs

2534819
2534819

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Popular Name: (5Z)-5-[(1,3-dimethylpyrazol-4-yl)methylene]-3-isobutyl-2-mercapto-2-imidazolin-4-one (5Z)-5-[(1,3-dimethylpyrazol-4-y…

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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) 1.60 1.13 -10.47 0 5 0 53 278.381 3 ↓

Parameters Provided:

ring.id = 235079
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 = 235079 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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