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

2148465
2148465
4044806
4044806
4045494
4045494

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Popular Name: (12aS)-2-[(E)-(3-methylbenzylidene)amino]-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]$b-carboline-1,4-q (12aS)-2-[(E)-(3-methylbenzylide…

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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) 2.55 -0.97 -13.75 1 6 0 68 372.428 2 ↓

Analogs

11692251
11692251

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Popular Name: (12aR)-2-[(E)-(4-bromobenzylidene)amino]-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]$b-carboline-1,4-qu (12aR)-2-[(E)-(4-bromobenzyliden…

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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) 2.94 -2.05 -14.06 1 6 0 68 437.297 2 ↓

Analogs

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Popular Name: (12aR)-2-[(E)-p-anisylideneamino]-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]$b-carboline-1,4-quinone (12aR)-2-[(E)-p-anisylideneamino…

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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) 2.18 -1.27 -14.92 1 7 0 78 388.427 3 ↓

Analogs

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Popular Name: (12aS)-2-[(E)-(3-fluorobenzylidene)amino]-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]$b-carboline-1,4-q (12aS)-2-[(E)-(3-fluorobenzylide…

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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) 2.27 -0.56 -16.84 1 6 0 68 376.391 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (12aR)-2-[(E)-(3-fluorobenzylidene)amino]-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]$b-carboline-1,4-q (12aR)-2-[(E)-(3-fluorobenzylide…

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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) 2.27 -0.55 -13.15 1 6 0 68 376.391 2 ↓

Analogs

6426528
6426528
15953642
15953642

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Popular Name: (12aS)-2-[(E)-benzalamino]-6,6-dimethyl-3,7,12,12a-tetrahydropyrazino[1,2-b]$b-carboline-1,4-quinone (12aS)-2-[(E)-benzalamino]-6,6-d…

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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) 3.13 -0.42 -12.94 1 6 0 68 386.455 2 ↓

Analogs

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Popular Name: (12aR)-2-[(E)-(3,4,5-trimethoxybenzylidene)amino]-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]$b-carboli (12aR)-2-[(E)-(3,4,5-trimethoxyb…

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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) 1.76 7.33 -18.16 1 9 0 96 448.479 5 ↓

Analogs

16031478
16031478

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Popular Name: (12aS)-2-[(E)-(3-fluorobenzylidene)amino]-6,6-dimethyl-3,7,12,12a-tetrahydropyrazino[1,2-b]$b-carbol (12aS)-2-[(E)-(3-fluorobenzylide…

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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) 3.27 0.31 -15.69 1 6 0 68 404.445 2 ↓

Analogs

2151665
2151665
2151667
2151667
4046383
4046383

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Popular Name: (12aS)-2-[(E)-veratrylideneamino]-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]$b-carboline-1,4-quinone (12aS)-2-[(E)-veratrylideneamino…

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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 -0.94 -16.65 1 8 0 87 418.453 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (12aR)-2-[(E)-(3-ethoxy-4-hydroxy-benzylidene)amino]-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]$b-carb (12aR)-2-[(E)-(3-ethoxy-4-hydrox…

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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) 1.84 -2.88 -16.27 2 8 0 98 418.453 4 ↓

Analogs

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Popular Name: 4-[(E)-[(12aR)-1,4-diketo-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]$b-carbolin-2-yl]iminomethyl]benzo 4-[(E)-[(12aR)-1,4-diketo-6,7,12…

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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) 2.30 -0.18 -16.78 1 8 0 95 416.437 4 ↓

Parameters Provided:

ring.id = 232213
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 = 232213 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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