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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: (3-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone (3-bromophenyl)-(9H-pyrido[3,4-b…

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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) 4.85 9.86 -9.79 1 3 0 46 351.203 2 ↓
Lo Low (pH 4.5-6) 4.85 9.28 -35.94 2 3 1 47 352.211 2 ↓

Analogs

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Popular Name: 1-(4-nitrobenzoyl)-9H-pyrido[3,4-b]indole-3-carboxylic 1-(4-nitrobenzoyl)-9H-pyrido[3,4…

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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) 4.05 10.49 -48.61 1 8 -1 132 360.305 4 ↓
Lo Low (pH 4.5-6) 4.05 9.89 -30.15 2 8 0 133 361.313 4 ↓

Analogs

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Popular Name: 1-(2-nitrobenzoyl)-9H-pyrido[3,4-b]indole-3-carboxylic 1-(2-nitrobenzoyl)-9H-pyrido[3,4…

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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) 4.01 9.69 -60.9 1 8 -1 132 360.305 4 ↓
Lo Low (pH 4.5-6) 4.01 9.98 -29.99 2 8 0 133 361.313 4 ↓

Analogs

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Popular Name: p-tolyl(9H-pyrido[3,4-b]indol-1-yl)methanone p-tolyl(9H-pyrido[3,4-b]indol-1-…

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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) 4.51 9.92 -10.05 1 3 0 46 286.334 2 ↓
Lo Low (pH 4.5-6) 4.51 9.33 -32.93 2 3 1 47 287.342 2 ↓

Analogs

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Popular Name: m-tolyl(9H-pyrido[3,4-b]indol-1-yl)methanone m-tolyl(9H-pyrido[3,4-b]indol-1-…

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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) 4.49 9.91 -10.24 1 3 0 46 286.334 2 ↓
Lo Low (pH 4.5-6) 4.49 9.34 -32.88 2 3 1 47 287.342 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone (4-bromophenyl)-(9H-pyrido[3,4-b…

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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) 4.88 9.87 -8.32 1 3 0 46 351.203 2 ↓
Lo Low (pH 4.5-6) 4.88 9.29 -34.88 2 3 1 47 352.211 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-bromophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone (2-bromophenyl)-(9H-pyrido[3,4-b…

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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) 4.83 9.86 -10.74 1 3 0 46 351.203 2 ↓
Lo Low (pH 4.5-6) 4.83 9.57 -13.81 2 3 0 47 352.211 2 ↓

Analogs

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Popular Name: (4-methoxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone (4-methoxyphenyl)-(9H-pyrido[3,4…

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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) 4.12 8.57 -10.23 1 4 0 55 302.333 3 ↓
Lo Low (pH 4.5-6) 4.12 7.99 -34.17 2 4 1 56 303.341 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-nitrophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone (4-nitrophenyl)-(9H-pyrido[3,4-b…

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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) 4.03 9.96 -9.9 1 6 0 92 317.304 3 ↓
Lo Low (pH 4.5-6) 4.03 9.38 -41.75 2 6 1 93 318.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-nitrophenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone (3-nitrophenyl)-(9H-pyrido[3,4-b…

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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) 4.00 9.95 -13.74 1 6 0 92 317.304 3 ↓
Lo Low (pH 4.5-6) 4.00 9.37 -44.24 2 6 1 93 318.312 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-benzoyl-9H-pyrido[3,4-b]indole-3-carboxylic 1-benzoyl-9H-pyrido[3,4-b]indole…

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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) 4.09 9.78 -51.47 1 5 -1 86 315.308 3 ↓
Lo Low (pH 4.5-6) 4.09 9.17 -26.5 2 5 0 87 316.316 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methoxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl)methanone (3-methoxyphenyl)-(9H-pyrido[3,4…

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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) 4.10 8.55 -10.59 1 4 0 55 302.333 3 ↓
Lo Low (pH 4.5-6) 4.10 7.96 -32.84 2 4 1 56 303.341 3 ↓

Parameters Provided:

ring.id = 465969
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 = 465969 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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