UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-N'-cyclohexyl-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-cyclohexyl-N-(4-fluoroph…

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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) 3.25 -1.91 -17.84 2 5 0 61 333.407 3 ↓

Analogs

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Popular Name: (2R)-N'-cyclohexyl-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-cyclohexyl-N-(4-fluoroph…

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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) 3.25 -2.05 -16.98 2 5 0 61 333.407 3 ↓

Analogs

1329958
1329958

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Popular Name: (2S)-N'-cyclohexyl-N-phenyl-pyrrolidine-1,2-dicarboxamide (2S)-N'-cyclohexyl-N-phenyl-pyrr…

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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) 3.09 7.19 -17.51 2 5 0 61 315.417 3 ↓

Analogs

1329958
1329958

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Popular Name: (2R)-N'-cyclohexyl-N-phenyl-pyrrolidine-1,2-dicarboxamide (2R)-N'-cyclohexyl-N-phenyl-pyrr…

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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) 3.09 7.2 -17.56 2 5 0 61 315.417 3 ↓

Analogs

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Popular Name: (2S)-N'-cyclohexyl-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-cyclohexyl-N-(2-methoxyp…

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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) 3.10 6.59 -18.29 2 6 0 71 345.443 4 ↓

Analogs

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Popular Name: (2R)-N'-cyclohexyl-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-cyclohexyl-N-(2-methoxyp…

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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) 3.10 6.64 -18.18 2 6 0 71 345.443 4 ↓

Analogs

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Popular Name: (2S)-N'-cyclohexyl-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-cyclohexyl-N-(3-methoxyp…

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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) 3.12 6.46 -17.84 2 6 0 71 345.443 4 ↓

Analogs

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Popular Name: (2R)-N'-cyclohexyl-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-cyclohexyl-N-(3-methoxyp…

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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) 3.12 6.5 -18.04 2 6 0 71 345.443 4 ↓

Analogs

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Popular Name: (2S)-N'-cyclohexyl-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-cyclohexyl-N-(4-methoxyp…

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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) 3.15 6.48 -18.05 2 6 0 71 345.443 4 ↓

Analogs

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Popular Name: (2R)-N'-cyclohexyl-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-cyclohexyl-N-(4-methoxyp…

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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) 3.15 6.49 -18.06 2 6 0 71 345.443 4 ↓

Analogs

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Popular Name: (2S)-N-(3-chlorophenyl)-N'-cyclohexyl-pyrrolidine-1,2-dicarboxamide (2S)-N-(3-chlorophenyl)-N'-cyclo…

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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) 3.75 -2.94 -15.73 2 5 0 61 349.862 3 ↓

Analogs

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Popular Name: (2R)-N-(3-chlorophenyl)-N'-cyclohexyl-pyrrolidine-1,2-dicarboxamide (2R)-N-(3-chlorophenyl)-N'-cyclo…

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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) 3.75 -2.94 -18.27 2 5 0 61 349.862 3 ↓

Analogs

4894691
4894691
4894695
4894695
39981489
39981489

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Popular Name: (2S)-N-(4-chlorophenyl)-N'-cyclohexyl-pyrrolidine-1,2-dicarboxamide (2S)-N-(4-chlorophenyl)-N'-cyclo…

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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) 3.77 -2.8 -17.39 2 5 0 61 349.862 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-chlorophenyl)-N'-cyclohexyl-pyrrolidine-1,2-dicarboxamide (2R)-N-(4-chlorophenyl)-N'-cyclo…

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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) 3.77 -2.94 -16.51 2 5 0 61 349.862 3 ↓

Parameters Provided:

ring.id = 225559
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 = 225559 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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