UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 2.36 8.39 -15.01 0 5 0 50 296.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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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) 2.36 8.27 -15.19 0 5 0 50 296.411 6 ↓

Analogs

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Popular Name: (2S)-N-[(1S)-1-cyclopropylethyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide (2S)-N-[(1S)-1-cyclopropylethyl]…

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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) 1.02 4.96 -31.69 2 4 1 46 241.355 6 ↓

Analogs

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Popular Name: (2S)-N-[(1R)-1-cyclopropylethyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide (2S)-N-[(1R)-1-cyclopropylethyl]…

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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) 1.02 5.1 -32.02 2 4 1 46 241.355 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1S)-1-cyclopropylethyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide (2R)-N-[(1S)-1-cyclopropylethyl]…

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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) 1.02 5.1 -34.64 2 4 1 46 241.355 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R)-1-cyclopropylethyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide (2R)-N-[(1R)-1-cyclopropylethyl]…

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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) 1.02 5.23 -34.78 2 4 1 46 241.355 6 ↓

Analogs

36785847
36785847
36785849
36785849
36785850
36785850
36785852
36785852
36200216
36200216

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-[(1S)-1-cyclopropylethyl]-4-hydroxy-N-(2-methoxyethyl)pyrrolidine-2-carboxamide (2S,4S)-N-[(1S)-1-cyclopropyleth…

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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) 0.11 1.71 -36.28 3 5 1 66 257.354 6 ↓

Analogs

36785847
36785847
36785849
36785849
36785850
36785850
36785852
36785852
36200216
36200216

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-[(1R)-1-cyclopropylethyl]-4-hydroxy-N-(2-methoxyethyl)pyrrolidine-2-carboxamide (2S,4S)-N-[(1R)-1-cyclopropyleth…

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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) 0.11 1.71 -35.8 3 5 1 66 257.354 6 ↓

Analogs

36785847
36785847
36785849
36785849
36785850
36785850
36785852
36785852
36200216
36200216

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-[(1S)-1-cyclopropylethyl]-4-hydroxy-N-(2-methoxyethyl)pyrrolidine-2-carboxamide (2R,4S)-N-[(1S)-1-cyclopropyleth…

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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) 0.11 1.74 -37.16 3 5 1 66 257.354 6 ↓

Analogs

36785847
36785847
36785849
36785849
36785850
36785850
36785852
36785852
36200216
36200216

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-[(1R)-1-cyclopropylethyl]-4-hydroxy-N-(2-methoxyethyl)pyrrolidine-2-carboxamide (2R,4S)-N-[(1R)-1-cyclopropyleth…

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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) 0.11 1.88 -37.17 3 5 1 66 257.354 6 ↓

Analogs

35207876
35207876
35207877
35207877

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Popular Name: (2S)-N-(cyclopropylmethyl)-N-methyl-pyrrolidine-2-carboxamide (2S)-N-(cyclopropylmethyl)-N-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) 0.71 4.36 -36.72 2 3 1 37 183.275 3 ↓

Analogs

35207876
35207876
35207877
35207877

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(cyclopropylmethyl)-N-methyl-pyrrolidine-2-carboxamide (2R)-N-(cyclopropylmethyl)-N-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) 0.71 4.33 -35.76 2 3 1 37 183.275 3 ↓

Analogs

36200216
36200216
36200218
36200218
36200220
36200220
36200222
36200222

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-(cyclopropylmethyl)-4-hydroxy-N-methyl-pyrrolidine-2-carboxamide (2S,4S)-N-(cyclopropylmethyl)-4-…

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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) -0.21 0.95 -40.84 3 4 1 57 199.274 3 ↓

Analogs

36200216
36200216
36200218
36200218
36200220
36200220
36200222
36200222

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-(cyclopropylmethyl)-4-hydroxy-N-methyl-pyrrolidine-2-carboxamide (2R,4S)-N-(cyclopropylmethyl)-4-…

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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) -0.21 1.04 -38.04 3 4 1 57 199.274 3 ↓

Analogs

36200216
36200216
36200218
36200218
36200220
36200220
36200222
36200222

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-(cyclopropylmethyl)-4-hydroxy-N-methyl-pyrrolidine-2-carboxamide (2S,4R)-N-(cyclopropylmethyl)-4-…

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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) -0.21 1.01 -36.99 3 4 1 57 199.274 3 ↓

Analogs

36200216
36200216
36200218
36200218
36200220
36200220
36200222
36200222

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-(cyclopropylmethyl)-4-hydroxy-N-methyl-pyrrolidine-2-carboxamide (2R,4R)-N-(cyclopropylmethyl)-4-…

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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) -0.21 1.06 -40.22 3 4 1 57 199.274 3 ↓

Parameters Provided:

ring.id = 140850
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 = 140850 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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