UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33709402
33709402
1343161
1343161
1343163
1343163

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

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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) 2.65 6.68 -16.03 2 5 0 61 347.415 4 ↓

Analogs

33709402
33709402
1343161
1343161
1343163
1343163

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

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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) 2.65 6.71 -16.92 2 5 0 61 347.415 4 ↓

Analogs

33771261
33771261
33777308
33777308

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Popular Name: (2S)-N-(4-methoxyphenyl)-N'-(2-thenyl)pyrrolidine-1,2-dicarboxamide (2S)-N-(4-methoxyphenyl)-N'-(2-t…

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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) 2.54 5.91 -17.58 2 6 0 71 359.451 5 ↓

Analogs

33707422
33707422
33707424
33707424
33771261
33771261
33777308
33777308

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Popular Name: (2R)-N-(4-methoxyphenyl)-N'-(2-thenyl)pyrrolidine-1,2-dicarboxamide (2R)-N-(4-methoxyphenyl)-N'-(2-t…

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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) 2.54 5.93 -16.74 2 6 0 71 359.451 5 ↓

Analogs

33707448
33707448
33717496
33717496
33717497
33717497
33735396
33735396
34890384
34890384

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Popular Name: (2S)-N-(p-tolyl)-N'-(2-thenyl)pyrrolidine-1,2-dicarboxamide (2S)-N-(p-tolyl)-N'-(2-thenyl)py…

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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) 2.93 7.3 -17.18 2 5 0 61 343.452 4 ↓

Analogs

33707448
33707448
33717496
33717496
33717497
33717497
33735396
33735396
34890384
34890384

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(p-tolyl)-N'-(2-thenyl)pyrrolidine-1,2-dicarboxamide (2R)-N-(p-tolyl)-N'-(2-thenyl)py…

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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) 2.93 7.31 -16.35 2 5 0 61 343.452 4 ↓

Analogs

33575155
33575155
33683825
33683825
33707422
33707422
33707424
33707424
33726719
33726719

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Popular Name: (2S)-N-(2-methoxyphenyl)-N'-(2-thenyl)pyrrolidine-1,2-dicarboxamide (2S)-N-(2-methoxyphenyl)-N'-(2-t…

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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) 2.49 6.02 -17.74 2 6 0 71 359.451 5 ↓

Analogs

33575155
33575155
33683825
33683825
33707422
33707422
33707424
33707424
33726719
33726719

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-methoxyphenyl)-N'-(2-thenyl)pyrrolidine-1,2-dicarboxamide (2R)-N-(2-methoxyphenyl)-N'-(2-t…

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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) 2.49 6.07 -16.75 2 6 0 71 359.451 5 ↓

Analogs

33735396
33735396
34890384
34890384
1343161
1343161
1343163
1343163

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

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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) 2.48 -3.22 -17.76 2 5 0 61 329.425 4 ↓

Analogs

33735396
33735396
34890384
34890384
1343161
1343161
1343163
1343163

Draw Identity 99% 90% 80% 70%

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

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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) 2.48 6.63 -16.29 2 5 0 61 329.425 4 ↓

Analogs

33742324
33742324
34695359
34695359
34695361
34695361
34701973
34701973

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

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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) 3.14 7.14 -17.95 2 5 0 61 363.87 4 ↓

Analogs

33742324
33742324
34695359
34695359
34695361
34695361
34701973
34701973

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

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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) 3.14 7.15 -14.75 2 5 0 61 363.87 4 ↓

Analogs

33688948
33688948
34701973
34701973

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

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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) 3.16 7.13 -15.52 2 5 0 61 363.87 4 ↓

Analogs

33688948
33688948
34701973
34701973

Draw Identity 99% 90% 80% 70%

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

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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) 3.16 7.16 -16.4 2 5 0 61 363.87 4 ↓

Analogs

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Popular Name: (2S)-N2-[(5-methyl-2-thienyl)methyl]-N1-phenyl-pyrrolidine-1,2-dicarboxamide (2S)-N2-[(5-methyl-2-thienyl)met…

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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) 2.70 7.47 -17.65 2 5 0 61 343.452 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N2-[(5-methyl-2-thienyl)methyl]-N1-phenyl-pyrrolidine-1,2-dicarboxamide (2R)-N2-[(5-methyl-2-thienyl)met…

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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) 2.70 7.44 -16.59 2 5 0 61 343.452 4 ↓

Parameters Provided:

ring.id = 225502
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 = 225502 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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