UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5S)-1-[2-(2-chlorophenyl)ethyl]-5-[2-[(4-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one (5S)-1-[2-(2-chlorophenyl)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) 4.11 0.57 -61.72 2 3 1 37 375.895 8 ↓

Analogs

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Popular Name: (5R)-1-[2-(2-chlorophenyl)ethyl]-5-[2-[(4-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one (5R)-1-[2-(2-chlorophenyl)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) 4.11 0.29 -70.96 2 3 1 37 375.895 8 ↓

Analogs

11815234
11815234
11815235
11815235
11815237
11815237

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Popular Name: (5R)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(2R)-2-phenylpropyl]pyrrolidin-2-one (5R)-5-[2-[(2-fluorophenyl)methy…

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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) 4.23 1.11 -57.96 2 3 1 37 355.477 8 ↓

Analogs

11815235
11815235
11815237
11815237
11815232
11815232

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Popular Name: (5R)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(2S)-2-phenylpropyl]pyrrolidin-2-one (5R)-5-[2-[(2-fluorophenyl)methy…

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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) 4.23 0.85 -55.05 2 3 1 37 355.477 8 ↓

Analogs

11815237
11815237
11815232
11815232
11815234
11815234

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Popular Name: (5S)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(2R)-2-phenylpropyl]pyrrolidin-2-one (5S)-5-[2-[(2-fluorophenyl)methy…

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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) 4.23 0.78 -51.81 2 3 1 37 355.477 8 ↓

Analogs

11815232
11815232
11815234
11815234
11815235
11815235

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Popular Name: (5S)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[(2S)-2-phenylpropyl]pyrrolidin-2-one (5S)-5-[2-[(2-fluorophenyl)methy…

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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) 4.23 0.67 -57.96 2 3 1 37 355.477 8 ↓

Analogs

11980649
11980649
34968126
34968126
34968128
34968128
4345586
4345586

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Popular Name: (5R)-5-[2-(benzylamino)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-2-one (5R)-5-[2-(benzylamino)ethyl]-1-…

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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) 2.96 0.03 -68.31 2 5 1 55 383.512 10 ↓

Analogs

34968126
34968126
34968128
34968128
4345586
4345586
11980644
11980644

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Popular Name: (5S)-5-[2-(benzylamino)ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-2-one (5S)-5-[2-(benzylamino)ethyl]-1-…

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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) 2.96 0.11 -66.92 2 5 1 55 383.512 10 ↓

Analogs

11981814
11981814

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Popular Name: methyl methyl

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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) 3.54 1.01 -70.79 2 6 1 72 411.522 11 ↓

Analogs

11981811
11981811

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Popular Name: methyl methyl

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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) 3.54 1 -68.51 2 6 1 72 411.522 11 ↓

Analogs

11997883
11997883

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Popular Name: (5R)-1-[2-(3-methoxyphenyl)ethyl]-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-on (5R)-1-[2-(3-methoxyphenyl)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) 4.22 1.88 -72.52 2 4 1 46 421.483 10 ↓

Analogs

11997878
11997878

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Popular Name: (5S)-1-[2-(3-methoxyphenyl)ethyl]-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-on (5S)-1-[2-(3-methoxyphenyl)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) 4.22 2.07 -65.2 2 4 1 46 421.483 10 ↓

Analogs

12036977
12036977

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Popular Name: (5R)-5-[2-(benzylamino)ethyl]-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-2-one (5R)-5-[2-(benzylamino)ethyl]-1-…

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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) 3.43 0.4 -67.92 2 3 1 37 341.45 8 ↓

Analogs

12036974
12036974

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Popular Name: (5S)-5-[2-(benzylamino)ethyl]-1-[2-(2-fluorophenyl)ethyl]pyrrolidin-2-one (5S)-5-[2-(benzylamino)ethyl]-1-…

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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) 3.43 0.68 -55.11 2 3 1 37 341.45 8 ↓

Analogs

12039899
12039899

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Popular Name: (5R)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[2-(2-methoxyphenyl)ethyl]pyrrolidin-2-one (5R)-5-[2-[(2-fluorophenyl)methy…

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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) 3.44 0.51 -60.93 2 4 1 46 371.476 9 ↓

Analogs

12039892
12039892

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Popular Name: (5S)-5-[2-[(2-fluorophenyl)methylamino]ethyl]-1-[2-(2-methoxyphenyl)ethyl]pyrrolidin-2-one (5S)-5-[2-[(2-fluorophenyl)methy…

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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) 3.44 0.59 -59.33 2 4 1 46 371.476 9 ↓

Analogs

12218629
12218629

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Popular Name: methyl methyl

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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) 4.11 0.96 -66.96 2 5 1 63 415.941 10 ↓

Analogs

12218628
12218628

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Popular Name: methyl methyl

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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) 4.11 0.68 -76.42 2 5 1 63 415.941 10 ↓

Parameters Provided:

ring.id = 46263
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 = 46263 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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