UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3aR,10R)-10-methyl-2-o-phenetyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3-one (3aR,10R)-10-methyl-2-o-phenetyl…

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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) 4.42 -1.2 -14.3 1 5 0 48 391.496 3 ↓

Analogs

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Popular Name: (3aR,10S)-10-methyl-2-o-phenetyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3-one (3aR,10S)-10-methyl-2-o-phenetyl…

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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) 4.42 -1.04 -14.32 1 5 0 48 391.496 3 ↓

Analogs

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Popular Name: (3aS,10R)-10-methyl-2-o-phenetyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3-one (3aS,10R)-10-methyl-2-o-phenetyl…

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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) 4.42 -1.04 -14.62 1 5 0 48 391.496 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,10S)-10-methyl-2-o-phenetyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3-one (3aS,10S)-10-methyl-2-o-phenetyl…

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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) 4.42 -1.26 -14.2 1 5 0 48 391.496 3 ↓

Analogs

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Popular Name: 4-[(3aR)-3-keto-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-2-yl]benzoic-acid-methyl-este 4-[(3aR)-3-keto-1-thioxo-3a,4,9,…

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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) 3.65 -0.57 -14.44 1 6 0 65 391.452 3 ↓

Analogs

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Popular Name: 4-[(3aS)-3-keto-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-2-yl]benzoic-acid-methyl-este 4-[(3aS)-3-keto-1-thioxo-3a,4,9,…

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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) 3.65 -0.56 -14.95 1 6 0 65 391.452 3 ↓

Analogs

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Popular Name: (3aS,10S)-2-(4-chlorophenyl)-10-methyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3-one (3aS,10S)-2-(4-chlorophenyl)-10-…

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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) 4.71 -1.58 -10.45 1 4 0 39 381.888 1 ↓

Analogs

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Popular Name: (3aS,10R)-2-(4-chlorophenyl)-10-methyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3-one (3aS,10R)-2-(4-chlorophenyl)-10-…

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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) 4.71 -1.36 -10.87 1 4 0 39 381.888 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,10S)-2-(4-chlorophenyl)-10-methyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3-one (3aR,10S)-2-(4-chlorophenyl)-10-…

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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) 4.71 -1.36 -10.81 1 4 0 39 381.888 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,10R)-2-(4-chlorophenyl)-10-methyl-1-thioxo-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carbolin-3-one (3aR,10R)-2-(4-chlorophenyl)-10-…

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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) 4.71 -1.55 -10.5 1 4 0 39 381.888 1 ↓

Parameters Provided:

ring.id = 231255
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 = 231255 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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