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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrrolidine-2-carboxamide (2R)-N-cyclopropyl-N-[[(3S)-tetr…

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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) 0.69 4.19 -40.76 2 4 1 46 239.339 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrrolidine-2-carboxamide (2S)-N-cyclopropyl-N-[[(3S)-tetr…

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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) 0.69 4.08 -40.81 2 4 1 46 239.339 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrrolidine-2-carboxamide (2R)-N-cyclopropyl-N-[[(3R)-tetr…

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) 0.69 4.34 -37.3 2 4 1 46 239.339 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopropyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]pyrrolidine-2-carboxamide (2S)-N-cyclopropyl-N-[[(3R)-tetr…

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) 0.69 3.9 -37.06 2 4 1 46 239.339 4 ↓

Analogs

35661351
35661351
35661350
35661350
35661349
35661349
35661348
35661348
36785847
36785847

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-cyclopropyl-4-hydroxy-N-[[(3S)-tetrahydrofuran-3-yl]methyl]pyrrolidine-2-carboxamide (2S,4S)-N-cyclopropyl-4-hydroxy-…

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) -0.22 0.39 -43.04 3 5 1 66 255.338 4 ↓

Analogs

35661351
35661351
35661350
35661350
35661349
35661349
35661348
35661348
36785847
36785847

Draw Identity 99% 90% 80% 70%

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

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) -0.22 0.83 -45.78 3 5 1 66 255.338 4 ↓

Analogs

35661351
35661351
35661350
35661350
35661349
35661349
35661348
35661348
36785847
36785847

Draw Identity 99% 90% 80% 70%

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

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) -0.22 0.7 -40.11 3 5 1 66 255.338 4 ↓

Analogs

35661351
35661351
35661350
35661350
35661349
35661349
35661348
35661348
36785847
36785847

Draw Identity 99% 90% 80% 70%

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

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) -0.22 0.81 -43.41 3 5 1 66 255.338 4 ↓

Parameters Provided:

ring.id = 580107
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 = 580107 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=580107&filter.purchasability=annotated

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