UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 5.42 14.57 -13.2 1 6 0 66 467.55 4 ↓

Analogs

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

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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) 5.42 14.39 -13.44 1 6 0 66 467.55 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 5.42 15.07 -13.39 1 6 0 66 467.55 4 ↓

Analogs

1323162
1323162
1323163
1323163

Draw Identity 99% 90% 80% 70%

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

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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) 4.90 13.1 -16.17 1 6 0 58 469.566 4 ↓

Analogs

1323162
1323162
1323163
1323163

Draw Identity 99% 90% 80% 70%

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

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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) 4.90 13.62 -15.07 1 6 0 58 469.566 4 ↓

Analogs

1323162
1323162
1323163
1323163

Draw Identity 99% 90% 80% 70%

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

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Activity (Go SEA)

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) 4.90 13.55 -15.04 1 6 0 58 469.566 4 ↓

Analogs

1323162
1323162
1323163
1323163

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.90 13.1 -15.43 1 6 0 58 469.566 4 ↓

Parameters Provided:

ring.id = 231151
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 = 231151 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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