UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(cyclohexylamino)-1-(3-methylphenyl)-2,5-pyrrolidinedione 3-(cyclohexylamino)-1-(3-methylp…

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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) 2.45 8.09 -52.71 2 4 1 54 287.383 3 ↓
Mid Mid (pH 6-8) 2.45 6.89 -11.4 1 4 0 49 286.375 3 ↓

Analogs

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Popular Name: 3-(cyclohexylamino)-1-[3-(trifluoromethyl)phenyl]-2,5-pyrrolidinedione 3-(cyclohexylamino)-1-[3-(triflu…

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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) 2.90 8.42 -55.5 2 4 1 54 341.353 4 ↓
Mid Mid (pH 6-8) 2.90 7.22 -11.53 1 4 0 49 340.345 4 ↓

Analogs

724974
724974

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Popular Name: ethyl ethyl

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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) 2.82 10.69 -53.18 1 6 1 68 359.446 6 ↓
Mid Mid (pH 6-8) 2.82 8.43 -11.52 0 6 0 67 358.438 6 ↓

Analogs

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Popular Name: (3S)-1-(4-ethoxyphenyl)-3-[(4-methylcyclohexyl)amino]pyrrolidine-2,5-dione (3S)-1-(4-ethoxyphenyl)-3-[(4-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) 2.23 7.92 -53.55 2 5 1 63 331.436 5 ↓
Mid Mid (pH 6-8) 2.23 7.15 -9.46 1 5 0 59 330.428 5 ↓
Mid Mid (pH 6-8) 2.23 6.94 -10.93 1 5 0 59 330.428 5 ↓

Analogs

33932254
33932254
33932255
33932255

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Popular Name: (3S)-3-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione (3S)-3-[[(1R,2S,3R)-2,3-dimethyl…

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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) 2.94 8.46 -53.98 2 5 1 63 345.463 5 ↓
Mid Mid (pH 6-8) 2.94 7.33 -12.08 1 5 0 59 344.455 5 ↓

Analogs

33932254
33932254
33932255
33932255

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Popular Name: (3S)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione (3S)-3-[[(1S,2S,3R)-2,3-dimethyl…

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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) 2.94 8.79 -55.07 2 5 1 63 345.463 5 ↓
Mid Mid (pH 6-8) 2.94 7.83 -12.74 1 5 0 59 344.455 5 ↓

Analogs

4890748
4890748
4890749
4890749
4890752
4890752
16225537
16225537
16225541
16225541

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Popular Name: 3-(2,3-dimethylcyclohexyl)amino-1-(4-methoxyphenyl)-pyrrolidine-2,5-dione 3-(2,3-dimethylcyclohexyl)amino-…

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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) 2.57 0.78 -54.09 2 5 1 63 331.436 4 ↓

Analogs

4890749
4890749
4890752
4890752
16225537
16225537
16225541
16225541
39752961
39752961

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Popular Name: 3-(2,3-dimethylcyclohexyl)amino-1-(4-methoxyphenyl)-pyrrolidine-2,5-dione 3-(2,3-dimethylcyclohexyl)amino-…

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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) 2.57 1.26 -50.12 2 5 1 63 331.436 4 ↓

Analogs

4890752
4890752
16225537
16225537
16225541
16225541
4890747
4890747
4890748
4890748

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Popular Name: 3-(2,3-dimethylcyclohexyl)amino-1-(4-methoxyphenyl)-pyrrolidine-2,5-dione 3-(2,3-dimethylcyclohexyl)amino-…

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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) 2.57 0.67 -51.18 2 5 1 63 331.436 4 ↓

Analogs

16225537
16225537
16225541
16225541
39752961
39752961
4890747
4890747
4890748
4890748

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Popular Name: 3-(2,3-dimethylcyclohexyl)amino-1-(4-methoxyphenyl)-pyrrolidine-2,5-dione 3-(2,3-dimethylcyclohexyl)amino-…

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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) 2.57 0.72 -51.68 2 5 1 63 331.436 4 ↓

Analogs

6500113
6500113
13404013
13404013
18007612
18007612
19210592
19210592
19500932
19500932

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Popular Name: 3-(cyclohexyl-methyl-amino)-1-(p-tolyl)pyrrolidine-2,5-dione 3-(cyclohexyl-methyl-amino)-1-(p…

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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) 2.72 2.23 -47.42 1 4 1 41 301.41 3 ↓

Parameters Provided:

ring.id = 54465
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 = 54465 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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