UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[2-[(3R,4R)-3-amino-4-methyl-1-piperidyl]ethyl]imidazolidin-2-one 1-[2-[(3R,4R)-3-amino-4-methyl-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) -0.72 2.26 -117.76 5 5 2 64 228.34 3 ↓
Mid Mid (pH 6-8) -0.72 1.9 -37.9 4 5 1 63 227.332 3 ↓

Analogs

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Popular Name: 1-[2-[(3R,4S)-3-amino-4-methyl-1-piperidyl]ethyl]imidazolidin-2-one 1-[2-[(3R,4S)-3-amino-4-methyl-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) -0.72 1.88 -118.66 5 5 2 64 228.34 3 ↓
Mid Mid (pH 6-8) -0.72 1.58 -40.09 4 5 1 63 227.332 3 ↓

Analogs

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Popular Name: 1-[2-[4-(2-aminoethyl)-1-piperidyl]ethyl]imidazolidin-2-one 1-[2-[4-(2-aminoethyl)-1-piperid…

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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) -0.43 2.64 -98.73 5 5 2 64 242.367 5 ↓

Analogs

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Popular Name: 1-[2-[4-[2-(methylamino)ethyl]-1-piperidyl]ethyl]imidazolidin-2-one 1-[2-[4-[2-(methylamino)ethyl]-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) 0.55 4.52 -95.9 4 5 2 53 256.394 6 ↓

Analogs

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Popular Name: 1-[2-[(2S)-2-[2-(methylamino)ethyl]-1-piperidyl]ethyl]imidazolidin-2-one 1-[2-[(2S)-2-[2-(methylamino)eth…

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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) 0.49 2.72 -36.11 3 5 1 52 255.386 6 ↓
Mid Mid (pH 6-8) 0.49 4.32 -101.58 4 5 2 53 256.394 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2R)-2-[2-(methylamino)ethyl]-1-piperidyl]ethyl]imidazolidin-2-one 1-[2-[(2R)-2-[2-(methylamino)eth…

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) 0.49 2.19 -50.9 3 5 1 52 255.386 6 ↓
Mid Mid (pH 6-8) 0.49 4.32 -109.07 4 5 2 53 256.394 6 ↓

Parameters Provided:

ring.id = 421681
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 = 421681 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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