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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (3R)-N-(2-isopropyl-1,3-benzoxazol-5-yl)-3-methyl-pyrrolidine-3-carboxamide (3R)-N-(2-isopropyl-1,3-benzoxaz…

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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) 2.69 3.11 -49.27 3 5 1 72 288.371 3 ↓

Analogs

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Popular Name: (3S)-N-(2-isopropyl-1,3-benzoxazol-5-yl)-3-methyl-pyrrolidine-3-carboxamide (3S)-N-(2-isopropyl-1,3-benzoxaz…

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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) 2.69 3.16 -49.44 3 5 1 72 288.371 3 ↓

Analogs

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Popular Name: (3R)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyl-pyrrolidine-3-carboxamide (3R)-N-(2-ethyl-1,3-benzoxazol-5…

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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) 2.21 2.49 -49.52 3 5 1 72 274.344 3 ↓

Analogs

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Popular Name: (3S)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methyl-pyrrolidine-3-carboxamide (3S)-N-(2-ethyl-1,3-benzoxazol-5…

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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) 2.21 2.55 -49.66 3 5 1 72 274.344 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide (3R)-3-ethyl-N-(2-ethyl-1,3-benz…

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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) 2.54 3.58 -47.97 3 5 1 72 288.371 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide (3S)-3-ethyl-N-(2-ethyl-1,3-benz…

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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) 2.54 3.54 -47.26 3 5 1 72 288.371 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide (3R)-3-methyl-N-(2-methyl-1,3-be…

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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) 1.64 1.74 -49.91 3 5 1 72 260.317 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide (3S)-3-methyl-N-(2-methyl-1,3-be…

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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) 1.64 1.81 -49.99 3 5 1 72 260.317 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide (3S)-3-ethyl-N-(2-methyl-1,3-ben…

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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) 1.97 2.28 -48.24 3 5 1 72 274.344 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide (3R)-3-ethyl-N-(2-methyl-1,3-ben…

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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) 1.97 2.34 -46.15 3 5 1 72 274.344 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2-methyl-1,3-benzoxazol-5-yl)-3-propyl-pyrrolidine-3-carboxamide (3S)-N-(2-methyl-1,3-benzoxazol-…

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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) 2.53 3.07 -48.84 3 5 1 72 288.371 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-methyl-1,3-benzoxazol-5-yl)-3-propyl-pyrrolidine-3-carboxamide (3R)-N-(2-methyl-1,3-benzoxazol-…

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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) 2.53 3.09 -46.66 3 5 1 72 288.371 4 ↓

Parameters Provided:

ring.id = 301568
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 = 301568 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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