UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[2-[[(1S)-1-(2-thienyl)propyl]amino]ethyl]imidazolidin-2-one 1-[2-[[(1S)-1-(2-thienyl)propyl]…

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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) 1.65 4.42 -44.6 3 4 1 49 254.379 6 ↓
Mid Mid (pH 6-8) 1.65 3.01 -10.46 2 4 0 44 253.371 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(1R)-1-(2-thienyl)propyl]amino]ethyl]imidazolidin-2-one 1-[2-[[(1R)-1-(2-thienyl)propyl]…

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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) 1.65 4.43 -40.51 3 4 1 49 254.379 6 ↓
Mid Mid (pH 6-8) 1.65 3.03 -10.11 2 4 0 44 253.371 6 ↓

Analogs

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Popular Name: 1-[2-[[(1S)-1-(2-thienyl)butyl]amino]ethyl]imidazolidin-2-one 1-[2-[[(1S)-1-(2-thienyl)butyl]a…

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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) 2.21 5.19 -45.75 3 4 1 49 268.406 7 ↓
Mid Mid (pH 6-8) 2.21 3.79 -10.37 2 4 0 44 267.398 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(1R)-1-(2-thienyl)butyl]amino]ethyl]imidazolidin-2-one 1-[2-[[(1R)-1-(2-thienyl)butyl]a…

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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) 2.21 5.2 -41.39 3 4 1 49 268.406 7 ↓
Mid Mid (pH 6-8) 2.21 3.81 -10.01 2 4 0 44 267.398 7 ↓

Analogs

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Popular Name: 1-[2-[[(1S)-2-methyl-1-(2-thienyl)propyl]amino]ethyl]imidazolidin-2-one 1-[2-[[(1S)-2-methyl-1-(2-thieny…

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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) 1.90 4.91 -44.76 3 4 1 49 268.406 6 ↓
Hi High (pH 8-9.5) 1.90 3.76 -10.18 2 4 0 44 267.398 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(1R)-2-methyl-1-(2-thienyl)propyl]amino]ethyl]imidazolidin-2-one 1-[2-[[(1R)-2-methyl-1-(2-thieny…

Find On: PubMed — Wikipedia — Google

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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) 1.90 4.9 -40.61 3 4 1 49 268.406 6 ↓
Hi High (pH 8-9.5) 1.90 3.55 -9.91 2 4 0 44 267.398 6 ↓

Parameters Provided:

ring.id = 579930
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 = 579930 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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