UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[(4-bromo-2-thienyl)methyl]-3-methyl-imidazolidin-2-one 1-[(4-bromo-2-thienyl)methyl]-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) 2.13 5.9 -11.52 0 3 0 24 275.171 2 ↓

Analogs

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Popular Name: 1-[(5-bromo-2-thienyl)methyl]-3-methyl-imidazolidin-2-one 1-[(5-bromo-2-thienyl)methyl]-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) 2.33 6.02 -9.66 0 3 0 24 275.171 2 ↓

Analogs

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Popular Name: 1-[(3-bromo-2-thienyl)methyl]-3-methyl-imidazolidin-2-one 1-[(3-bromo-2-thienyl)methyl]-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) 2.13 5.81 -10.3 0 3 0 24 275.171 2 ↓

Analogs

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Popular Name: 1-[[4-(3-aminoprop-1-ynyl)-2-thienyl]methyl]-3-methyl-imidazolidin-2-one 1-[[4-(3-aminoprop-1-ynyl)-2-thi…

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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) 0.33 4.8 -53.33 3 4 1 51 250.347 2 ↓
Mid Mid (pH 6-8) 0.33 4.39 -14.39 2 4 0 50 249.339 2 ↓

Analogs

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Popular Name: 1-[[5-(3-aminoprop-1-ynyl)-2-thienyl]methyl]-3-methyl-imidazolidin-2-one 1-[[5-(3-aminoprop-1-ynyl)-2-thi…

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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) 0.64 4.56 -12.81 2 4 0 50 249.339 2 ↓
Mid Mid (pH 6-8) 0.64 4.97 -56.25 3 4 1 51 250.347 2 ↓

Analogs

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Popular Name: 1-[[3-(3-aminoprop-1-ynyl)-2-thienyl]methyl]-3-methyl-imidazolidin-2-one 1-[[3-(3-aminoprop-1-ynyl)-2-thi…

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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) 0.33 4.88 -38.43 3 4 1 51 250.347 2 ↓
Mid Mid (pH 6-8) 0.33 4.44 -11.62 2 4 0 50 249.339 2 ↓

Analogs

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Popular Name: 1-[[4-(3-hydroxyprop-1-ynyl)-2-thienyl]methyl]-3-methyl-imidazolidin-2-one 1-[[4-(3-hydroxyprop-1-ynyl)-2-t…

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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) 0.89 4.09 -16.43 1 4 0 44 250.323 2 ↓

Analogs

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Popular Name: 1-[[4-(4-hydroxybut-1-ynyl)-2-thienyl]methyl]-3-methyl-imidazolidin-2-one 1-[[4-(4-hydroxybut-1-ynyl)-2-th…

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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) 1.16 4.87 -15.1 1 4 0 44 264.35 3 ↓

Analogs

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Popular Name: 1-[[5-(3-hydroxyprop-1-ynyl)-2-thienyl]methyl]-3-methyl-imidazolidin-2-one 1-[[5-(3-hydroxyprop-1-ynyl)-2-t…

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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) 1.20 4.26 -15.14 1 4 0 44 250.323 2 ↓

Analogs

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Popular Name: 1-[[5-(4-hydroxybut-1-ynyl)-2-thienyl]methyl]-3-methyl-imidazolidin-2-one 1-[[5-(4-hydroxybut-1-ynyl)-2-th…

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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 5.03 -12.78 1 4 0 44 264.35 3 ↓

Analogs

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Popular Name: 1-[[3-(3-hydroxyprop-1-ynyl)-2-thienyl]methyl]-3-methyl-imidazolidin-2-one 1-[[3-(3-hydroxyprop-1-ynyl)-2-t…

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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) 0.89 4.05 -15.95 1 4 0 44 250.323 2 ↓

Analogs

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Popular Name: 1-[[3-(4-hydroxybut-1-ynyl)-2-thienyl]methyl]-3-methyl-imidazolidin-2-one 1-[[3-(4-hydroxybut-1-ynyl)-2-th…

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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) 1.16 4.73 -11.94 1 4 0 44 264.35 3 ↓

Analogs

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Popular Name: (E)-3-[5-[(3-methyl-2-oxo-imidazolidin-1-yl)methyl]-3-thienyl]prop-2-enoic (E)-3-[5-[(3-methyl-2-oxo-imidaz…

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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 7.13 -62.16 0 5 -1 64 265.314 4 ↓
Lo Low (pH 4.5-6) 1.12 5.08 -16.74 1 5 0 61 266.322 4 ↓

Analogs

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Popular Name: (E)-3-[5-[(3-methyl-2-oxo-imidazolidin-1-yl)methyl]-2-thienyl]prop-2-enoic (E)-3-[5-[(3-methyl-2-oxo-imidaz…

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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) 1.43 5.72 -57.12 0 5 -1 64 265.314 4 ↓

Analogs

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Popular Name: (E)-3-[2-[(3-methyl-2-oxo-imidazolidin-1-yl)methyl]-3-thienyl]prop-2-enoic (E)-3-[2-[(3-methyl-2-oxo-imidaz…

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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 6.98 -72.88 0 5 -1 64 265.314 4 ↓
Lo Low (pH 4.5-6) 1.12 4.93 -17.47 1 5 0 61 266.322 4 ↓

Parameters Provided:

ring.id = 31030
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 = 31030 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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