UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2149888
2149888
2149891
2149891
8743588
8743588
8743589
8743589
8770778
8770778

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,12aS)-2-cyclopentyl-6-(3-nitrophenyl)-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]$b-carboline-1,4-q (6R,12aS)-2-cyclopentyl-6-(3-nit…

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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) 3.80 11.58 -11.98 1 8 0 102 444.491 3 ↓

Analogs

2149888
2149888
2149891
2149891
8743588
8743588
8743589
8743589
8770778
8770778

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,12aS)-2-cyclopentyl-6-(3-nitrophenyl)-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]$b-carboline-1,4-q (6S,12aS)-2-cyclopentyl-6-(3-nit…

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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) 3.80 -1.05 -10.88 1 8 0 102 444.491 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(6S,12aS)-2-cyclopentyl-1,4-diketo-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]$b-carbolin-6-yl]benzo 4-[(6S,12aS)-2-cyclopentyl-1,4-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) 4.04 -0.44 -12.62 1 7 0 82 457.53 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(6R,12aS)-2-cyclopentyl-1,4-diketo-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]$b-carbolin-6-yl]benzo 4-[(6R,12aS)-2-cyclopentyl-1,4-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) 4.04 -0.24 -11.14 1 7 0 83 457.53 4 ↓

Analogs

2154367
2154367
8742440
8742440
8742441
8742441

Draw Identity 99% 90% 80% 70%

Popular Name: (6S,12aS)-2-cyclopentyl-6-p-cumenyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]$b-carboline-1,4-quinone (6S,12aS)-2-cyclopentyl-6-p-cume…

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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) 5.38 -0.77 -7.99 1 5 0 56 441.575 3 ↓

Analogs

2154367
2154367
8742440
8742440
8742441
8742441

Draw Identity 99% 90% 80% 70%

Popular Name: (6R,12aS)-2-cyclopentyl-6-p-cumenyl-6,7,12,12a-tetrahydro-3H-pyrazino[1,2-b]$b-carboline-1,4-quinone (6R,12aS)-2-cyclopentyl-6-p-cume…

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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) 5.38 0.08 -9.01 1 5 0 56 441.575 3 ↓

Parameters Provided:

ring.id = 232400
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 = 232400 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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