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

12209312
12209312
12209319
12209319

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[[7-(2,3-dimethylbenzoyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin-3-yl]methyl] (3R)-N-[[7-(2,3-dimethylbenzoyl)…

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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) 0.47 -2.68 -16.52 1 8 0 89 397.479 4 ↓

Analogs

12209312
12209312
12209319
12209319

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[[7-(2,3-dimethylbenzoyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin-3-yl]methyl] (3S)-N-[[7-(2,3-dimethylbenzoyl)…

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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) 0.47 -2.69 -15.88 1 8 0 89 397.479 4 ↓

Analogs

11975737
11975737

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[[7-(2-chloro-6-fluoro-benzoyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin-3-yl]m (3R)-N-[[7-(2-chloro-6-fluoro-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) 0.41 -2.56 -18.28 1 8 0 89 421.86 4 ↓

Analogs

11975730
11975730

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[[7-(2-chloro-6-fluoro-benzoyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin-3-yl]m (3S)-N-[[7-(2-chloro-6-fluoro-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) 0.41 -2.63 -17.44 1 8 0 89 421.86 4 ↓

Analogs

11980385
11980385

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[[7-(3-chloro-2-fluoro-benzoyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin-3-yl]m (3R)-N-[[7-(3-chloro-2-fluoro-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) 0.41 -2.67 -21.63 1 8 0 89 421.86 4 ↓

Analogs

11980378
11980378

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[[7-(3-chloro-2-fluoro-benzoyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin-3-yl]m (3S)-N-[[7-(3-chloro-2-fluoro-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) 0.41 -2.66 -21.22 1 8 0 89 421.86 4 ↓

Analogs

12029781
12029781
12029783
12029783
12029787
12029787

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-2-methyl-1-[7-(3-methylbenzoyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin- (3R)-N-[(1R)-2-methyl-1-[7-(3-me…

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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) 1.40 -2.22 -14.64 1 8 0 89 425.533 5 ↓

Analogs

12029783
12029783
12029787
12029787
12029776
12029776

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-2-methyl-1-[7-(3-methylbenzoyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin- (3R)-N-[(1S)-2-methyl-1-[7-(3-me…

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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) 1.40 -1.78 -15.04 1 8 0 89 425.533 5 ↓

Analogs

12029787
12029787
12029776
12029776
12029781
12029781

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1R)-2-methyl-1-[7-(3-methylbenzoyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin- (3S)-N-[(1R)-2-methyl-1-[7-(3-me…

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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) 1.40 -1.74 -14.16 1 8 0 89 425.533 5 ↓

Analogs

12029776
12029776
12029781
12029781

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-2-methyl-1-[7-(3-methylbenzoyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin- (3S)-N-[(1S)-2-methyl-1-[7-(3-me…

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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) 1.40 -1.7 -13.6 1 8 0 89 425.533 5 ↓

Analogs

12034419
12034419

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[[7-(3,5-dimethylbenzoyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin-3-yl]methyl] (3R)-N-[[7-(3,5-dimethylbenzoyl)…

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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) 0.49 -2.56 -16.92 1 8 0 89 397.479 4 ↓

Analogs

12034417
12034417

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[[7-(3,5-dimethylbenzoyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin-3-yl]methyl] (3S)-N-[[7-(3,5-dimethylbenzoyl)…

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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) 0.49 -2.55 -16.29 1 8 0 89 397.479 4 ↓

Analogs

12209319
12209319
11812863
11812863
11812865
11812865

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[[7-(2,5-dimethylbenzoyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin-3-yl]methyl] (3R)-N-[[7-(2,5-dimethylbenzoyl)…

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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) 0.49 -2.67 -16.21 1 8 0 89 397.479 4 ↓

Analogs

12209312
12209312
11812863
11812863

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[[7-(2,5-dimethylbenzoyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin-3-yl]methyl] (3S)-N-[[7-(2,5-dimethylbenzoyl)…

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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) 0.49 -2.67 -15.63 1 8 0 89 397.479 4 ↓

Parameters Provided:

ring.id = 46023
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 = 46023 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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