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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: (4S)-4-(4-chlorophenyl)-N-phenethyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide (4S)-4-(4-chlorophenyl)-N-phenet…

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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) 6.50 15 -10.03 1 4 0 37 441.962 4 ↓

Analogs

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Popular Name: (4R)-4-(4-chlorophenyl)-N-phenethyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide (4R)-4-(4-chlorophenyl)-N-phenet…

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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) 6.50 14.94 -10.04 1 4 0 37 441.962 4 ↓

Analogs

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Popular Name: (4S)-4-(4-methylsulfanylphenyl)-N-phenethyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxami (4S)-4-(4-methylsulfanylphenyl)-…

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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) 6.25 15.47 -10.51 1 4 0 37 453.611 5 ↓

Analogs

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Popular Name: (4R)-4-(4-methylsulfanylphenyl)-N-phenethyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxami (4R)-4-(4-methylsulfanylphenyl)-…

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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) 6.25 15.46 -10.89 1 4 0 37 453.611 5 ↓

Analogs

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Popular Name: (4S)-4-(4-isopropylphenyl)-N-phenethyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide (4S)-4-(4-isopropylphenyl)-N-phe…

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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) 7.33 16.38 -10.01 1 4 0 37 449.598 5 ↓

Analogs

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Popular Name: (4R)-4-(4-isopropylphenyl)-N-phenethyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide (4R)-4-(4-isopropylphenyl)-N-phe…

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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) 7.33 16.37 -10.09 1 4 0 37 449.598 5 ↓

Analogs

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Popular Name: (4S)-4-(4-ethylphenyl)-N-phenethyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide (4S)-4-(4-ethylphenyl)-N-pheneth…

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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) 6.74 15.9 -10.28 1 4 0 37 435.571 5 ↓

Analogs

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Popular Name: (4R)-4-(4-ethylphenyl)-N-phenethyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide (4R)-4-(4-ethylphenyl)-N-pheneth…

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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) 6.74 15.86 -10.2 1 4 0 37 435.571 5 ↓

Analogs

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Popular Name: (4S)-4-(3-chlorophenyl)-N-phenethyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide (4S)-4-(3-chlorophenyl)-N-phenet…

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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) 6.47 14.99 -11.83 1 4 0 37 441.962 4 ↓

Analogs

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Popular Name: (4R)-4-(3-chlorophenyl)-N-phenethyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide (4R)-4-(3-chlorophenyl)-N-phenet…

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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) 6.47 14.97 -10.05 1 4 0 37 441.962 4 ↓

Analogs

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Popular Name: (4S)-4-(2-chlorophenyl)-N-phenethyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide (4S)-4-(2-chlorophenyl)-N-phenet…

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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) 6.45 14.96 -14.47 1 4 0 37 441.962 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-(2-chlorophenyl)-N-phenethyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide (4R)-4-(2-chlorophenyl)-N-phenet…

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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) 6.45 14.95 -10.18 1 4 0 37 441.962 4 ↓

Parameters Provided:

ring.id = 89374
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 = 89374 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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