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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: N-(2-fluorophenyl)-3-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide N-(2-fluorophenyl)-3-(2-methyl-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) 3.43 11.48 -44.7 2 4 1 38 352.433 4 ↓
Mid Mid (pH 6-8) 3.43 9.09 -8.9 1 4 0 37 351.425 4 ↓

Analogs

39228543
39228543

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Popular Name: N-(4-fluorophenyl)-3-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide N-(4-fluorophenyl)-3-(2-methyl-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) 3.48 11.45 -47.01 2 4 1 38 352.433 4 ↓
Mid Mid (pH 6-8) 3.48 9.06 -10.11 1 4 0 37 351.425 4 ↓

Analogs

39228543
39228543

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Popular Name: 3-(2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-(4-fluorophenyl)propanamide 3-(2-ethyl-3,4-dihydro-1H-pyrido…

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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) 3.85 12.13 -45.27 2 4 1 38 366.46 5 ↓
Mid Mid (pH 6-8) 3.85 9.87 -9.84 1 4 0 37 365.452 5 ↓

Analogs

39228543
39228543

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Popular Name: 3-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-(4-fluorophenyl)propanamide 3-(8-fluoro-2-methyl-3,4-dihydro…

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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) 2.64 9.1 -10.74 1 4 0 37 369.415 4 ↓
Mid Mid (pH 6-8) 2.64 11.49 -49.57 2 4 1 38 370.423 4 ↓

Analogs

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Popular Name: N-(4-chlorophenyl)-3-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide N-(4-chlorophenyl)-3-(8-fluoro-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) 3.16 9.56 -10.18 1 4 0 37 385.87 4 ↓
Mid Mid (pH 6-8) 3.16 11.94 -48.82 2 4 1 38 386.878 4 ↓

Analogs

39228543
39228543

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Popular Name: 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-(4-fluorophenyl)propanamide 3-(2,8-dimethyl-3,4-dihydro-1H-p…

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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) 3.90 12.12 -46.34 2 4 1 38 366.46 4 ↓
Mid Mid (pH 6-8) 3.90 9.73 -10.81 1 4 0 37 365.452 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-3-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide N-(4-chlorophenyl)-3-(2-methyl-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) 3.99 11.9 -46.27 2 4 1 38 368.888 4 ↓
Mid Mid (pH 6-8) 3.99 9.51 -9.57 1 4 0 37 367.88 4 ↓

Parameters Provided:

ring.id = 582754
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 = 582754 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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