UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-(cyclobutylmethyl)-4-methoxy-N-methyl-pyrrolidine-2-carboxamide (2S,4S)-N-(cyclobutylmethyl)-4-m…

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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) 0.58 3.79 -39.5 2 4 1 46 227.328 4 ↓
Mid Mid (pH 6-8) 0.58 2.59 -11.93 1 4 0 42 226.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-(cyclobutylmethyl)-4-methoxy-N-methyl-pyrrolidine-2-carboxamide (2R,4S)-N-(cyclobutylmethyl)-4-m…

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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) 0.58 3.88 -36.53 2 4 1 46 227.328 4 ↓
Mid Mid (pH 6-8) 0.58 2.48 -6.85 1 4 0 42 226.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-(cyclobutylmethyl)-4-methoxy-N-methyl-pyrrolidine-2-carboxamide (2S,4R)-N-(cyclobutylmethyl)-4-m…

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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) 0.58 3.81 -37.13 2 4 1 46 227.328 4 ↓
Mid Mid (pH 6-8) 0.58 2.56 -8.61 1 4 0 42 226.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-(cyclobutylmethyl)-4-methoxy-N-methyl-pyrrolidine-2-carboxamide (2R,4R)-N-(cyclobutylmethyl)-4-m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.58 3.93 -38.5 2 4 1 46 227.328 4 ↓
Mid Mid (pH 6-8) 0.58 2.58 -7.89 1 4 0 42 226.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(cyclobutylmethyl)-N-methyl-pyrrolidine-2-carboxamide (2S)-N-(cyclobutylmethyl)-N-meth…

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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) 0.88 4.84 -36.59 2 3 1 37 197.302 3 ↓
Hi High (pH 8-9.5) 0.88 3.62 -9.79 1 3 0 32 196.294 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(cyclobutylmethyl)-N-methyl-pyrrolidine-2-carboxamide (2R)-N-(cyclobutylmethyl)-N-meth…

Find On: PubMed — Wikipedia — Google

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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) 0.88 4.79 -35.64 2 3 1 37 197.302 3 ↓
Hi High (pH 8-9.5) 0.88 3.56 -7.23 1 3 0 32 196.294 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Activity (Go SEA)

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) -0.03 1.45 -40.12 3 4 1 57 213.301 3 ↓
Hi High (pH 8-9.5) -0.03 0.25 -11.83 2 4 0 53 212.293 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.03 1.51 -37.96 3 4 1 57 213.301 3 ↓
Hi High (pH 8-9.5) -0.03 0.11 -7.72 2 4 0 53 212.293 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.03 1.47 -36.89 3 4 1 57 213.301 3 ↓
Hi High (pH 8-9.5) -0.03 0.19 -8.9 2 4 0 53 212.293 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.03 1.52 -40.13 3 4 1 57 213.301 3 ↓
Hi High (pH 8-9.5) -0.03 0.17 -9.14 2 4 0 53 212.293 3 ↓

Analogs

45647287
45647287
45647289
45647289
45647291
45647291
45647293
45647293

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-(cyclobutylmethyl)-4-hydroxy-pyrrolidine-2-carboxamide (2S,4S)-N-(cyclobutylmethyl)-4-h…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.28 -0.51 -41.11 4 4 1 66 199.274 3 ↓

Analogs

45647287
45647287
45647289
45647289
45647291
45647291
45647293
45647293

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.28 -0.52 -38.59 4 4 1 66 199.274 3 ↓

Analogs

45647287
45647287
45647289
45647289
45647291
45647291
45647293
45647293

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.28 -0.44 -37.52 4 4 1 66 199.274 3 ↓

Analogs

45647287
45647287
45647289
45647289
45647291
45647291
45647293
45647293

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-(cyclobutylmethyl)-4-hydroxy-pyrrolidine-2-carboxamide (2R,4R)-N-(cyclobutylmethyl)-4-h…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) -0.28 -0.47 -40.61 4 4 1 66 199.274 3 ↓

Parameters Provided:

ring.id = 219302
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 = 219302 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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