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

Draw Identity 99% 90% 80% 70%

Popular Name: Girisopam (INN) Girisopam (INN)

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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) 3.99 2.12 -12.41 0 4 0 43 328.799 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.83 10.97 -19.55 0 8 0 88 406.442 7 ↓

Analogs

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Popular Name: 6-(4-methoxyphenyl)-7H-tetrazolo[5,1-a][2,3]benzodiazepine 6-(4-methoxyphenyl)-7H-tetrazolo…

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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) 2.99 6.71 -15.85 0 6 0 65 291.314 2 ↓

Analogs

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Popular Name: 6-(3,4-dimethoxyphenyl)-3-methyl-7H-[1,2,4]triazolo[3,4-a][2,3]benzodiazepine 6-(3,4-dimethoxyphenyl)-3-methyl…

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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) 2.81 9.57 -18.51 0 6 0 62 334.379 3 ↓

Analogs

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Popular Name: 2-[4-(3,4-dimethoxyphenyl)-5H-2,3-benzodiazepin-1-yl]-5-ethyl-4-methyl-pyrazol-3-amine 2-[4-(3,4-dimethoxyphenyl)-5H-2,…

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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) 3.83 10.76 -19.61 2 7 0 87 403.486 5 ↓
Lo Low (pH 4.5-6) 3.83 10.23 -30.97 3 7 1 88 404.494 5 ↓

Analogs

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Popular Name: [6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-a][2,3]benzodiazepin-3-yl]methanamine [6-(4-methoxyphenyl)-7H-[1,2,4]t…

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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) 2.42 6.93 -49.94 3 6 1 80 320.376 3 ↓
Hi High (pH 8-9.5) 2.42 6.54 -15.68 2 6 0 78 319.368 3 ↓

Analogs

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Popular Name: 3-[6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-a][2,3]benzodiazepin-3-yl]propan-1-amine 3-[6-(4-methoxyphenyl)-7H-[1,2,4…

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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) 2.49 8.42 -54.72 3 6 1 80 348.43 5 ↓

Analogs

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Popular Name: [4-(3,4-dimethoxyphenyl)-5H-2,3-benzodiazepin-1-yl]hydrazine [4-(3,4-dimethoxyphenyl)-5H-2,3-…

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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) 0.64 6.69 -31.25 4 6 1 83 311.365 4 ↓

Analogs

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Popular Name: 6-(4-methoxyphenyl)-3-phenyl-7H-[1,2,4]triazolo[3,4-a][2,3]benzodiazepine 6-(4-methoxyphenyl)-3-phenyl-7H-…

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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) 5.25 12.67 -17.29 0 5 0 52 366.424 3 ↓

Analogs

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Popular Name: 2-[6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-a][2,3]benzodiazepin-3-yl]ethanamine 2-[6-(4-methoxyphenyl)-7H-[1,2,4…

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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) 2.22 7.64 -54.21 3 6 1 80 334.403 4 ↓

Analogs

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Popular Name: 3-[6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-a][2,3]benzodiazepin-3-yl]propanoic 3-[6-(4-methoxyphenyl)-7H-[1,2,4…

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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) 2.93 10.97 -60.56 0 7 -1 92 361.381 5 ↓

Analogs

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Popular Name: 7-benzyl-1,8-dimethyl-4,6-diphenyl-5H-pyrrolo[3,4-d]diazepine 7-benzyl-1,8-dimethyl-4,6-diphen…

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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) 6.09 15.81 -14.91 0 3 0 30 403.529 4 ↓

Analogs

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Popular Name: 7,8-dimethyl-4,6-diphenyl-5H-pyrrolo[3,4-d]diazepine-1-thiol 7,8-dimethyl-4,6-diphenyl-5H-pyr…

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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) 4.43 11.88 -11.35 1 3 0 31 345.471 2 ↓

Analogs

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Popular Name: (7,8-dimethyl-4,6-diphenyl-5H-pyrrolo[3,4-d]diazepin-1-yl)hydrazine (7,8-dimethyl-4,6-diphenyl-5H-py…

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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) 1.77 10.96 -26.42 4 5 1 69 344.442 3 ↓

Analogs

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Popular Name: 8-methyl-4,6-diphenyl-5,7-dihydropyrrolo[3,4-d]diazepine-1-thiol 8-methyl-4,6-diphenyl-5,7-dihydr…

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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) 4.36 10.44 -10.53 2 3 0 42 331.444 2 ↓

Analogs

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Popular Name: 2-[(7,8-dimethyl-4,6-diphenyl-5H-pyrrolo[3,4-d]diazepin-1-yl)sulfanyl]-1-phenyl-ethanone 2-[(7,8-dimethyl-4,6-diphenyl-5H…

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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) 5.78 16.2 -14.46 0 4 0 47 463.606 6 ↓

Analogs

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Popular Name: 7-(4-methoxyphenyl)-3-phenyl-8H-[1,2,4]triazino[3,4-a][2,3]benzodiazepin-4-one 7-(4-methoxyphenyl)-3-phenyl-8H-…

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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) 4.55 11.39 -19.63 0 6 0 69 394.434 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8-methyl-4,6-diphenyl-5,7-dihydropyrrolo[3,4-d]diazepin-1-yl)hydrazine (8-methyl-4,6-diphenyl-5,7-dihyd…

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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) 1.71 9.54 -26.91 5 5 1 80 330.415 3 ↓

Parameters Provided:

ring.id = 252
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 = 252 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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