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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41545465
41545465

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one (2R)-2-(8-fluoro-1,3,4,5-tetrahy…

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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 6.5 -18.67 2 6 0 74 379.391 1 ↓

Analogs

41545462
41545462

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Popular Name: (2S)-2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one (2S)-2-(8-fluoro-1,3,4,5-tetrahy…

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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 8.22 -20.24 2 6 0 74 379.391 1 ↓

Analogs

41545478
41545478

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Popular Name: (2R)-2-methyl-2-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-4H-1,4-benzoxazin-3-one (2R)-2-methyl-2-(1,3,4,5-tetrahy…

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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) 2.60 6.46 -16.89 2 6 0 74 361.401 1 ↓

Analogs

41545474
41545474

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-2-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-4H-1,4-benzoxazin-3-one (2S)-2-methyl-2-(1,3,4,5-tetrahy…

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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) 2.60 8.16 -18.7 2 6 0 74 361.401 1 ↓

Analogs

41545484
41545484

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Popular Name: (2R)-2-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one (2R)-2-(8-chloro-1,3,4,5-tetrahy…

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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) 3.25 6.96 -17.58 2 6 0 74 395.846 1 ↓

Analogs

41545481
41545481

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one (2S)-2-(8-chloro-1,3,4,5-tetrahy…

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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) 3.25 8.67 -19.24 2 6 0 74 395.846 1 ↓

Analogs

41547099
41547099

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-2,6-dimethyl-4H-1,4-benzoxazin-3- (2S)-2-(8-fluoro-1,3,4,5-tetrahy…

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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) 2.19 8.88 -19.89 2 6 0 74 393.418 1 ↓

Analogs

41547096
41547096

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Popular Name: (2R)-2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-2,6-dimethyl-4H-1,4-benzoxazin-3- (2R)-2-(8-fluoro-1,3,4,5-tetrahy…

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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) 2.19 7.2 -18.48 2 6 0 74 393.418 1 ↓

Analogs

41547111
41547111

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Popular Name: (2S)-2,6-dimethyl-2-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-4H-1,4-benzoxazin-3-one (2S)-2,6-dimethyl-2-(1,3,4,5-tet…

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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) 3.02 8.83 -18.3 2 6 0 74 375.428 1 ↓

Analogs

41547108
41547108

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2,6-dimethyl-2-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-4H-1,4-benzoxazin-3-one (2R)-2,6-dimethyl-2-(1,3,4,5-tet…

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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) 3.02 7.15 -16.67 2 6 0 74 375.428 1 ↓

Analogs

41547117
41547117

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Popular Name: (2S)-2-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-2,6-dimethyl-4H-1,4-benzoxazin-3- (2S)-2-(8-chloro-1,3,4,5-tetrahy…

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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) 3.68 9.34 -18.86 2 6 0 74 409.873 1 ↓

Analogs

41547114
41547114

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-2,6-dimethyl-4H-1,4-benzoxazin-3- (2R)-2-(8-chloro-1,3,4,5-tetrahy…

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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) 3.68 7.65 -17.47 2 6 0 74 409.873 1 ↓

Analogs

41548659
41548659

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-2-methyl-4H-1,4-benzoxaz (2R)-6-chloro-2-(8-fluoro-1,3,4,…

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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) 2.42 7.03 -18.26 2 6 0 74 413.836 1 ↓

Analogs

41548657
41548657

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-2-methyl-4H-1,4-benzoxaz (2S)-6-chloro-2-(8-fluoro-1,3,4,…

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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) 2.42 8.74 -19.71 2 6 0 74 413.836 1 ↓

Analogs

41548666
41548666

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-2-methyl-2-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-4H-1,4-benzoxazin-3-one (2R)-6-chloro-2-methyl-2-(1,3,4,…

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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) 3.25 6.98 -16.33 2 6 0 74 395.846 1 ↓

Analogs

41548665
41548665

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-2-methyl-2-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-4H-1,4-benzoxazin-3-one (2S)-6-chloro-2-methyl-2-(1,3,4,…

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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) 3.25 8.68 -18.09 2 6 0 74 395.846 1 ↓

Analogs

41548670
41548670

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-2-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-2-methyl-4H-1,4-benzoxaz (2R)-6-chloro-2-(8-chloro-1,3,4,…

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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) 3.91 7.49 -17.17 2 6 0 74 430.291 1 ↓

Analogs

41548668
41548668

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-2-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-2-methyl-4H-1,4-benzoxaz (2S)-6-chloro-2-(8-chloro-1,3,4,…

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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) 3.91 9.19 -18.74 2 6 0 74 430.291 1 ↓

Parameters Provided:

ring.id = 546860
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 = 546860 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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