UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-N'-cyclopentyl-N-(p-tolyl)pyrrolidine-1,2-dicarboxamide (2S)-N'-cyclopentyl-N-(p-tolyl)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) 3.03 -2.39 -17.26 2 5 0 61 315.417 3 ↓

Analogs

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Popular Name: (2R)-N'-cyclopentyl-N-(p-tolyl)pyrrolidine-1,2-dicarboxamide (2R)-N'-cyclopentyl-N-(p-tolyl)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) 3.03 -2.41 -17.66 2 5 0 61 315.417 3 ↓

Analogs

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

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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) 2.75 -1.97 -16.5 2 5 0 61 319.38 3 ↓

Analogs

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

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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) 2.75 -1.99 -17.02 2 5 0 61 319.38 3 ↓

Analogs

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

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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) 2.59 6.67 -17.34 2 5 0 61 301.39 3 ↓

Analogs

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

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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) 2.59 6.68 -17.43 2 5 0 61 301.39 3 ↓

Analogs

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

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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) 2.59 -2.56 -17.79 2 6 0 70 331.416 4 ↓

Analogs

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

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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) 2.59 -2.39 -18.75 2 6 0 70 331.416 4 ↓

Analogs

4892525
4892525
4892535
4892535
4967908
4967908
4967910
4967910
1343382
1343382

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

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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) 2.64 5.96 -17.86 2 6 0 71 331.416 4 ↓

Analogs

4892525
4892525
4892535
4892535
4967908
4967908
4967910
4967910
1343382
1343382

Draw Identity 99% 90% 80% 70%

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

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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) 2.64 5.97 -17.93 2 6 0 71 331.416 4 ↓

Analogs

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Popular Name: (2S)-N-(3-chlorophenyl)-N'-cyclopentyl-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) 3.24 -2.86 -15.57 2 5 0 61 335.835 3 ↓

Analogs

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Popular Name: (2R)-N-(3-chlorophenyl)-N'-cyclopentyl-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) 3.24 -2.67 -19.19 2 5 0 61 335.835 3 ↓

Analogs

4894691
4894691
4894695
4894695
39981489
39981489

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Popular Name: (2S)-N-(4-chlorophenyl)-N'-cyclopentyl-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) 3.26 7.19 -16.24 2 5 0 61 335.835 3 ↓

Analogs

4894691
4894691
4894695
4894695
39981489
39981489

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-chlorophenyl)-N'-cyclopentyl-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) 3.26 7.2 -16.3 2 5 0 61 335.835 3 ↓

Parameters Provided:

ring.id = 225518
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 = 225518 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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