UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-N-[2-(4-chlorophenoxy)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (2R)-N-[2-(4-chlorophenoxy)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) 2.64 7.25 -17.82 1 5 0 59 338.835 6 ↓

Analogs

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Popular Name: (2S)-N-[2-(4-chlorophenoxy)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (2S)-N-[2-(4-chlorophenoxy)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) 2.64 7.53 -16.3 1 5 0 59 338.835 6 ↓

Analogs

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Popular Name: (2S)-1-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxamide (2S)-1-acetyl-N-[2-(3,5-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) 1.71 5.97 -15.85 1 5 0 59 304.39 5 ↓

Analogs

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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) 1.40 3.84 -17.06 1 7 0 77 322.361 7 ↓

Analogs

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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) 1.40 3.84 -19.6 1 7 0 77 322.361 7 ↓

Analogs

40514227
40514227
40514228
40514228
49238504
49238504
49238506
49238506

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Popular Name: (2S)-N-[2-(3-fluorophenoxy)ethyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-N-[2-(3-fluorophenoxy)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) 1.66 6.18 -40 2 4 1 46 267.324 5 ↓

Analogs

40514227
40514227
40514228
40514228
49238504
49238504
49238506
49238506

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[2-(3-fluorophenoxy)ethyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-N-[2-(3-fluorophenoxy)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) 1.66 5.9 -38.21 2 4 1 46 267.324 5 ↓

Analogs

40514227
40514227
40514228
40514228
49089559
49089559
49114456
49114456
49125921
49125921

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Popular Name: (2S,4S)-N-[2-(3-fluorophenoxy)ethyl]-4-hydroxy-N-methyl-pyrrolidine-2-carboxamide (2S,4S)-N-[2-(3-fluorophenoxy)et…

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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) 0.74 2.53 -44.3 3 5 1 66 283.323 5 ↓

Analogs

40514227
40514227
40514228
40514228
49089559
49089559
49114456
49114456
49125921
49125921

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Popular Name: (2R,4S)-N-[2-(3-fluorophenoxy)ethyl]-4-hydroxy-N-methyl-pyrrolidine-2-carboxamide (2R,4S)-N-[2-(3-fluorophenoxy)et…

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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) 0.74 2.62 -40.15 3 5 1 66 283.323 5 ↓

Analogs

40514227
40514227
40514228
40514228
49089559
49089559
49114456
49114456
49125921
49125921

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-[2-(3-fluorophenoxy)ethyl]-4-hydroxy-N-methyl-pyrrolidine-2-carboxamide (2S,4R)-N-[2-(3-fluorophenoxy)et…

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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) 0.74 2.59 -39.9 3 5 1 66 283.323 5 ↓

Analogs

40514227
40514227
40514228
40514228
49089559
49089559
49114456
49114456
49125921
49125921

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-[2-(3-fluorophenoxy)ethyl]-4-hydroxy-N-methyl-pyrrolidine-2-carboxamide (2R,4R)-N-[2-(3-fluorophenoxy)et…

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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) 0.74 2.64 -42.22 3 5 1 66 283.323 5 ↓

Analogs

48922033
48922033
49114520
49114520
49238693
49238693
49238695
49238695

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Popular Name: (2S,4S)-4-hydroxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidine-2-carboxamide (2S,4S)-4-hydroxy-N-methyl-N-[2-…

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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) 1.03 3.14 -43.12 3 5 1 66 279.36 5 ↓

Analogs

48922033
48922033
49114520
49114520
49238693
49238693
49238695
49238695

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-4-hydroxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidine-2-carboxamide (2R,4S)-4-hydroxy-N-methyl-N-[2-…

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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) 1.03 3.23 -39.31 3 5 1 66 279.36 5 ↓

Analogs

48922033
48922033
49114520
49114520
49238693
49238693
49238695
49238695

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-hydroxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidine-2-carboxamide (2S,4R)-4-hydroxy-N-methyl-N-[2-…

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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) 1.03 3.2 -38.94 3 5 1 66 279.36 5 ↓

Analogs

48922033
48922033
49114520
49114520
49238693
49238693
49238695
49238695

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-4-hydroxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidine-2-carboxamide (2R,4R)-4-hydroxy-N-methyl-N-[2-…

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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) 1.03 3.24 -41.2 3 5 1 66 279.36 5 ↓

Parameters Provided:

ring.id = 386149
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 = 386149 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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