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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: (3S)-1-[(2S)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(2S)-3,4-dihydro-2H-1,4-…

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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) 1.00 5.82 -56.07 1 6 -1 82 289.311 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2S)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2S)-3,4-dihydro-2H-1,4-…

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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) 1.00 5.92 -51.09 1 6 -1 82 289.311 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(2R)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3S)-1-[(2R)-3,4-dihydro-2H-1,4-…

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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) 1.00 5.84 -46.78 1 6 -1 82 289.311 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(2R)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]-3-methyl-pyrrolidine-3-carboxylic (3R)-1-[(2R)-3,4-dihydro-2H-1,4-…

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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) 1.00 5.9 -60.24 1 6 -1 82 289.311 2 ↓

Analogs

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Popular Name: [(2S)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone [(2S)-3,4-dihydro-2H-1,4-benzoxa…

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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) 1.15 6.02 -49.23 2 5 1 46 276.36 2 ↓
Hi High (pH 8-9.5) 1.15 3.57 -13.01 1 5 0 45 275.352 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone [(2S)-3,4-dihydro-2H-1,4-benzoxa…

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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) 1.15 5.99 -55.29 2 5 1 46 276.36 2 ↓
Hi High (pH 8-9.5) 1.15 3.58 -11.73 1 5 0 45 275.352 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone [(2R)-3,4-dihydro-2H-1,4-benzoxa…

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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) 1.15 5.97 -55.46 2 5 1 46 276.36 2 ↓
Hi High (pH 8-9.5) 1.15 3.57 -11.68 1 5 0 45 275.352 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone [(2R)-3,4-dihydro-2H-1,4-benzoxa…

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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) 1.15 5.98 -49.22 2 5 1 46 276.36 2 ↓
Hi High (pH 8-9.5) 1.15 3.57 -12.92 1 5 0 45 275.352 2 ↓

Analogs

20294857
20294857
20294860
20294860
20294851
20294851

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(2S)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-[(2S)-3,4-dihydro-2H-1,4-…

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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) 0.50 3.84 -22.11 2 6 0 71 289.335 2 ↓

Analogs

20294857
20294857
20294860
20294860
20294851
20294851

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(2S)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-[(2S)-3,4-dihydro-2H-1,4-…

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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) 0.50 4.05 -23.79 2 6 0 71 289.335 2 ↓

Analogs

20294857
20294857
20294860
20294860
20294851
20294851

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(2R)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]-N-methyl-pyrrolidine-2-carboxamide (2S)-1-[(2R)-3,4-dihydro-2H-1,4-…

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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) 0.50 3.7 -23.34 2 6 0 71 289.335 2 ↓

Analogs

20294857
20294857
20294860
20294860
20294851
20294851

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(2R)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]-N-methyl-pyrrolidine-2-carboxamide (2R)-1-[(2R)-3,4-dihydro-2H-1,4-…

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) 0.50 3.23 -23.13 2 6 0 71 289.335 2 ↓

Parameters Provided:

ring.id = 307942
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 = 307942 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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