UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11817260
11817260
11933665
11933665
11933666
11933666
12227997
12227997
12228001
12228001

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Popular Name: (5S)-7-[(2-fluoro-5-methoxy-phenyl)methyl]-3-(1-methylcyclopropanecarbonyl)-3,7-diazaspiro[4.5]decan (5S)-7-[(2-fluoro-5-methoxy-phen…

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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) 1.99 1.1 -18.53 0 5 0 50 374.456 4 ↓

Analogs

11933665
11933665
11933666
11933666
12227997
12227997
12228001
12228001
12458306
12458306

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Popular Name: (5R)-7-[(2-fluoro-5-methoxy-phenyl)methyl]-3-(1-methylcyclopropanecarbonyl)-3,7-diazaspiro[4.5]decan (5R)-7-[(2-fluoro-5-methoxy-phen…

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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) 1.99 0.52 -18.6 0 5 0 50 374.456 4 ↓

Analogs

11839409
11839409
12298473
12298473
12298474
12298474
15062308
15062308
15062310
15062310

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Popular Name: 1-[(5S)-9-(m-tolylmethyl)-10-oxo-2,9-diazaspiro[4.5]decane-2-carbonyl]cyclopropane-1-carboxamide 1-[(5S)-9-(m-tolylmethyl)-10-oxo…

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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) 0.62 -2.76 -14.76 2 6 0 84 369.465 4 ↓

Analogs

12298473
12298473
12298474
12298474
15062308
15062308
15062310
15062310
11839407
11839407

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Popular Name: 1-[(5R)-9-(m-tolylmethyl)-10-oxo-2,9-diazaspiro[4.5]decane-2-carbonyl]cyclopropane-1-carboxamide 1-[(5R)-9-(m-tolylmethyl)-10-oxo…

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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) 0.62 -2.79 -14.31 2 6 0 84 369.465 4 ↓

Analogs

12021758
12021758
12209878
12209878
12209884
12209884
12580678
12580678
12580685
12580685

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Popular Name: 1-[(5S)-9-[(4-isopropylphenyl)methyl]-10-oxo-2,9-diazaspiro[4.5]decane-2-carbonyl]cyclopropane-1-car 1-[(5S)-9-[(4-isopropylphenyl)me…

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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) 1.71 -1.92 -14.46 2 6 0 84 397.519 5 ↓

Analogs

12209878
12209878
12209884
12209884
12580678
12580678
12580685
12580685
12021754
12021754

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Popular Name: 1-[(5R)-9-[(4-isopropylphenyl)methyl]-10-oxo-2,9-diazaspiro[4.5]decane-2-carbonyl]cyclopropane-1-car 1-[(5R)-9-[(4-isopropylphenyl)me…

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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) 1.71 -2.33 -14.57 2 6 0 84 397.519 5 ↓

Analogs

12209884
12209884
12580678
12580678
12580685
12580685
15062019
15062019
15062021
15062021

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Popular Name: (5S)-2-(cyclopropanecarbonyl)-9-[(4-isopropylphenyl)methyl]-2,9-diazaspiro[4.5]decan-10-one (5S)-2-(cyclopropanecarbonyl)-9-…

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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) 3.40 0.79 -15.63 0 4 0 41 354.494 4 ↓

Analogs

12580678
12580678
12580685
12580685
15062019
15062019
15062021
15062021
12021754
12021754

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-(cyclopropanecarbonyl)-9-[(4-isopropylphenyl)methyl]-2,9-diazaspiro[4.5]decan-10-one (5R)-2-(cyclopropanecarbonyl)-9-…

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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) 3.40 0.46 -14.14 0 4 0 41 354.494 4 ↓

Analogs

12228001
12228001
12458306
12458306
12458307
12458307
11817259
11817259
11817260
11817260

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Popular Name: (5S)-2-(cyclopropanecarbonyl)-9-[(2-fluoro-5-methoxy-phenyl)methyl]-2,9-diazaspiro[4.5]decan-10-one (5S)-2-(cyclopropanecarbonyl)-9-…

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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 0.18 -16.21 0 5 0 50 360.429 4 ↓

Analogs

12458306
12458306
12458307
12458307
11817259
11817259
11817260
11817260

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-(cyclopropanecarbonyl)-9-[(2-fluoro-5-methoxy-phenyl)methyl]-2,9-diazaspiro[4.5]decan-10-one (5R)-2-(cyclopropanecarbonyl)-9-…

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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 0.22 -17.28 0 5 0 50 360.429 4 ↓

Parameters Provided:

ring.id = 50056
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 = 50056 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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