UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36692482
36692482
36692483
36692483
36692484
36692484
36692485
36692485
4308892
4308892

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Popular Name: N-[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]-N-methyl-2-[(5R,10R)-10-methyl-2,4-dio N-[2-[[4-chloro-3-(trifluorometh…

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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) 3.42 7.83 -20.21 2 8 0 99 488.894 6 ↓

Analogs

4308892
4308892
4308893
4308893
4308894
4308894

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Popular Name: N-[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]-N-methyl-2-[(5R,10S)-10-methyl-2,4-dio N-[2-[[4-chloro-3-(trifluorometh…

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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) 3.42 8.23 -18.85 2 8 0 99 488.894 6 ↓

Analogs

4308892
4308892
4308893
4308893
4308894
4308894

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Popular Name: N-[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]-N-methyl-2-[(5S,10R)-10-methyl-2,4-dio N-[2-[[4-chloro-3-(trifluorometh…

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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) 3.42 8.22 -19.29 2 8 0 99 488.894 6 ↓

Analogs

4308892
4308892
4308893
4308893
4308894
4308894

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]-N-methyl-2-[(5S,10S)-10-methyl-2,4-dio N-[2-[[4-chloro-3-(trifluorometh…

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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) 3.42 7.85 -19.99 2 8 0 99 488.894 6 ↓

Analogs

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Popular Name: N-[2-[(4-methoxyphenyl)amino]-2-oxo-ethyl]-N-methyl-2-[(5R,10S)-10-methyl-2,4-dioxo-1,3-diazaspiro[4 N-[2-[(4-methoxyphenyl)amino]-2-…

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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) 1.97 6.11 -21.72 2 9 0 108 416.478 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4-methoxyphenyl)amino]-2-oxo-ethyl]-N-methyl-2-[(5S,10S)-10-methyl-2,4-dioxo-1,3-diazaspiro[4 N-[2-[(4-methoxyphenyl)amino]-2-…

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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) 1.97 5.71 -24.06 2 9 0 108 416.478 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4-methoxyphenyl)amino]-2-oxo-ethyl]-N-methyl-2-[(5R,10R)-10-methyl-2,4-dioxo-1,3-diazaspiro[4 N-[2-[(4-methoxyphenyl)amino]-2-…

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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) 1.97 5.71 -23.18 2 9 0 108 416.478 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(4-methoxyphenyl)amino]-2-oxo-ethyl]-N-methyl-2-[(5S,10R)-10-methyl-2,4-dioxo-1,3-diazaspiro[4 N-[2-[(4-methoxyphenyl)amino]-2-…

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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) 1.97 6.1 -22.25 2 9 0 108 416.478 6 ↓

Analogs

36714608
36714608
2616801
2616801
8312974
8312974

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Popular Name: N-[2-[(4-methoxyphenyl)amino]-2-oxo-ethyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3 N-[2-[(4-methoxyphenyl)amino]-2-…

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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) 1.50 5.94 -22.58 2 9 0 108 416.478 6 ↓

Analogs

12854842
12854842
12854848
12854848
12854851
12854851
4308930
4308930
8941089
8941089

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Popular Name: 2-[ethyl-[2-[(5R,9S)-7,7,9-trimethyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl]acetyl]amino]-N-[2-(tri 2-[ethyl-[2-[(5R,9S)-7,7,9-trime…

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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) 3.56 10.3 -18.77 2 8 0 99 496.53 7 ↓

Analogs

12854848
12854848
12854851
12854851
12854836
12854836
4308930
4308930

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Popular Name: 2-[ethyl-[2-[(5S,9S)-7,7,9-trimethyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl]acetyl]amino]-N-[2-(tri 2-[ethyl-[2-[(5S,9S)-7,7,9-trime…

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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) 3.56 9.6 -18.99 2 8 0 99 496.53 7 ↓

Analogs

12854851
12854851
12854836
12854836
12854842
12854842
4308930
4308930

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[ethyl-[2-[(5R,9R)-7,7,9-trimethyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl]acetyl]amino]-N-[2-(tri 2-[ethyl-[2-[(5R,9R)-7,7,9-trime…

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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) 3.56 9.58 -18.73 2 8 0 99 496.53 7 ↓

Analogs

12854836
12854836
12854842
12854842
12854848
12854848

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[ethyl-[2-[(5S,9R)-7,7,9-trimethyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl]acetyl]amino]-N-[2-(tri 2-[ethyl-[2-[(5S,9R)-7,7,9-trime…

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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) 3.56 10.33 -18.04 2 8 0 99 496.53 7 ↓

Analogs

36623054
36623054
3505553
3505553
3505570
3505570

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Popular Name: 2-[[2-(4-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)aceta 2-[[2-(4-methyl-1,3-dioxo-2,4-di…

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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) 2.44 7.27 -17.51 2 8 0 99 414.506 5 ↓

Analogs

36245555
36245555
36705983
36705983
39544350
39544350
39570344
39570344
2622012
2622012

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Popular Name: 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-methyl-N-[2-oxo-2-(p-tolylamino)ethyl]acetamid 2-(8-ethyl-2,4-dioxo-1,3-diazasp…

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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) 2.58 7.63 -22.92 2 8 0 99 414.506 6 ↓

Parameters Provided:

ring.id = 41008
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 = 41008 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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