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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16028521
16028521
16028523
16028523

Draw Identity 99% 90% 80% 70%

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

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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) 3.85 -0.66 -13.34 1 6 0 57 433.533 5 ↓

Analogs

16028521
16028521
16028523
16028523

Draw Identity 99% 90% 80% 70%

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

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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) 3.85 -0.55 -12.6 1 6 0 57 433.533 5 ↓

Analogs

3973120
3973120

Draw Identity 99% 90% 80% 70%

Popular Name: 2-butyl-5-(4-methoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[5',1':6,1]pyrido[3,4-b]indol-1-one 2-butyl-5-(4-methoxyphenyl)-3-th…

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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) 5.05 -1.14 -10.41 1 5 0 48 419.55 5 ↓

Analogs

3973120
3973120

Draw Identity 99% 90% 80% 70%

Popular Name: 2-butyl-5-(4-methoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[5',1':6,1]pyrido[3,4-b]indol-1-one 2-butyl-5-(4-methoxyphenyl)-3-th…

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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) 5.05 -1.17 -10.28 1 5 0 48 419.55 5 ↓

Analogs

2797516
2797516
2797517
2797517
2797518
2797518
6379268
6379268
6379270
6379270

Draw Identity 99% 90% 80% 70%

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

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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) 3.93 -1.42 -9.66 1 4 0 39 361.47 2 ↓

Analogs

2797517
2797517
2797518
2797518
6379268
6379268
6379270
6379270
6379283
6379283

Draw Identity 99% 90% 80% 70%

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

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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) 3.93 -1.35 -9.61 1 4 0 39 361.47 2 ↓

Analogs

2797518
2797518
6379268
6379268
6379270
6379270
6379283
6379283
6379284
6379284

Draw Identity 99% 90% 80% 70%

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

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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) 3.93 -1.34 -9.47 1 4 0 39 361.47 2 ↓

Analogs

6379268
6379268
6379270
6379270
6379283
6379283
6379284
6379284
189650
189650

Draw Identity 99% 90% 80% 70%

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

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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) 3.93 -1.47 -9.65 1 4 0 39 361.47 2 ↓

Parameters Provided:

ring.id = 231912
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 = 231912 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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