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Analogs

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Popular Name: (3aR,8bR)-3a-amino-8b-benzyl-2-cyclohexyl-1,4-dihydropyrrolo[3,4-b]indol-3-one (3aR,8bR)-3a-amino-8b-benzyl-2-c…

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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 7.68 -8.74 3 4 0 58 361.489 3 ↓

Analogs

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Popular Name: (3aR,8bS)-3a-amino-8b-benzyl-2-cyclohexyl-1,4-dihydropyrrolo[3,4-b]indol-3-one (3aR,8bS)-3a-amino-8b-benzyl-2-c…

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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 8.35 -7.42 3 4 0 58 361.489 3 ↓

Analogs

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Popular Name: (3aS,8bR)-3a-amino-8b-benzyl-2-cyclohexyl-1,4-dihydropyrrolo[3,4-b]indol-3-one (3aS,8bR)-3a-amino-8b-benzyl-2-c…

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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 8.29 -6.35 3 4 0 58 361.489 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,8bS)-3a-amino-8b-benzyl-2-cyclohexyl-1,4-dihydropyrrolo[3,4-b]indol-3-one (3aS,8bS)-3a-amino-8b-benzyl-2-c…

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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 8.03 -7.54 3 4 0 58 361.489 3 ↓

Analogs

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Popular Name: (3aR,8bR)-3a-amino-2-tert-butyl-8b-methyl-1,4-dihydropyrrolo[3,4-b]indol-3-one (3aR,8bR)-3a-amino-2-tert-butyl-…

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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) 2.06 3.09 -8.91 3 4 0 58 259.353 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,8bS)-3a-amino-2-tert-butyl-8b-methyl-1,4-dihydropyrrolo[3,4-b]indol-3-one (3aR,8bS)-3a-amino-2-tert-butyl-…

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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) 2.06 3.57 -7.18 3 4 0 58 259.353 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,8bR)-3a-amino-2-tert-butyl-8b-methyl-1,4-dihydropyrrolo[3,4-b]indol-3-one (3aS,8bR)-3a-amino-2-tert-butyl-…

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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) 2.06 3.51 -6.17 3 4 0 58 259.353 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,8bS)-3a-amino-2-tert-butyl-8b-methyl-1,4-dihydropyrrolo[3,4-b]indol-3-one (3aS,8bS)-3a-amino-2-tert-butyl-…

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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) 2.06 3.13 -6.34 3 4 0 58 259.353 1 ↓

Parameters Provided:

ring.id = 391963
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 = 391963 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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