UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12035091
12035091
12035094
12035094
12035096
12035096
12042672
12042672
12042674
12042674

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Popular Name: (5R)-3-(2-dimethylaminoethyl)-5-isopentyl-5-[1-[(3R)-3-methylpentanoyl]-4-piperidyl]imidazolidine-2, (5R)-3-(2-dimethylaminoethyl)-5-…

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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) 3.21 0.74 -41.09 2 7 1 74 423.622 10 ↓

Analogs

12035094
12035094
12035096
12035096
12042672
12042672
12042674
12042674
12035090
12035090

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Popular Name: (5R)-3-(2-dimethylaminoethyl)-5-isopentyl-5-[1-[(3S)-3-methylpentanoyl]-4-piperidyl]imidazolidine-2, (5R)-3-(2-dimethylaminoethyl)-5-…

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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) 3.21 0.74 -41 2 7 1 74 423.622 10 ↓

Analogs

12035096
12035096
12042672
12042672
12042674
12042674
12035090
12035090
12035091
12035091

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Popular Name: (5S)-3-(2-dimethylaminoethyl)-5-isopentyl-5-[1-[(3R)-3-methylpentanoyl]-4-piperidyl]imidazolidine-2, (5S)-3-(2-dimethylaminoethyl)-5-…

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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) 3.21 0.89 -41.03 2 7 1 74 423.622 10 ↓

Analogs

12042672
12042672
12042674
12042674
12035090
12035090
12035091
12035091

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-(2-dimethylaminoethyl)-5-isopentyl-5-[1-[(3S)-3-methylpentanoyl]-4-piperidyl]imidazolidine-2, (5S)-3-(2-dimethylaminoethyl)-5-…

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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) 3.21 0.84 -41.04 2 7 1 74 423.622 10 ↓

Analogs

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Popular Name: 2-[4-[(4S)-2,5-dioxo-4-propyl-imidazolidin-4-yl]-1-piperidyl]acetic 2-[4-[(4S)-2,5-dioxo-4-propyl-im…

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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) -0.44 3.49 -43 3 7 0 103 283.328 5 ↓
Hi High (pH 8-9.5) -0.25 0.91 -73.01 2 7 -1 109 282.32 5 ↓

Analogs

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Popular Name: 2-[4-[(4R)-2,5-dioxo-4-propyl-imidazolidin-4-yl]-1-piperidyl]acetic 2-[4-[(4R)-2,5-dioxo-4-propyl-im…

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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) -0.44 3.41 -42.99 3 7 0 103 283.328 5 ↓
Hi High (pH 8-9.5) -0.25 0.85 -73.02 2 7 -1 109 282.32 5 ↓

Analogs

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Popular Name: (5S)-5-isopentyl-3-(2-methoxyethyl)-5-(4-piperidyl)imidazolidine-2,4-dione (5S)-5-isopentyl-3-(2-methoxyeth…

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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) 1.35 4.61 -50.57 3 6 1 75 312.434 7 ↓

Analogs

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Popular Name: (5R)-5-isopentyl-3-(2-methoxyethyl)-5-(4-piperidyl)imidazolidine-2,4-dione (5R)-5-isopentyl-3-(2-methoxyeth…

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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) 1.35 4.52 -50.65 3 6 1 75 312.434 7 ↓

Analogs

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Popular Name: (5S)-5-ethyl-5-(4-piperidyl)imidazolidine-2,4-dione (5S)-5-ethyl-5-(4-piperidyl)imid…

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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) 0.07 -0.18 -46.56 4 5 1 75 212.273 2 ↓
Hi High (pH 8-9.5) 0.26 -2.76 -58.84 3 5 0 81 211.265 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-5-ethyl-5-(4-piperidyl)imidazolidine-2,4-dione (5R)-5-ethyl-5-(4-piperidyl)imid…

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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) 0.07 0.06 -49.16 4 5 1 75 212.273 2 ↓
Hi High (pH 8-9.5) 0.26 -2.6 -65.53 3 5 0 81 211.265 2 ↓

Parameters Provided:

ring.id = 82665
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 = 82665 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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