UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,10S)-2,10-diphenyl-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carboline-1,3-quinone (3aS,10S)-2,10-diphenyl-3a,4,9,1…

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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) 4.71 -0.37 -10.67 1 5 0 56 393.446 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,10R)-2,10-diphenyl-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carboline-1,3-quinone (3aS,10R)-2,10-diphenyl-3a,4,9,1…

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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) 4.71 0.06 -9.79 1 5 0 56 393.446 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,10S)-2,10-diphenyl-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carboline-1,3-quinone (3aR,10S)-2,10-diphenyl-3a,4,9,1…

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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) 4.71 0.05 -9.74 1 5 0 56 393.446 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,10R)-2,10-diphenyl-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carboline-1,3-quinone (3aR,10R)-2,10-diphenyl-3a,4,9,1…

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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) 4.71 -0.39 -10.7 1 5 0 56 393.446 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,10S)-10-(2,5-dimethoxyphenyl)-2-phenyl-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carboline-1,3-quino (3aS,10S)-10-(2,5-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) 4.75 11.36 -11.49 1 7 0 75 453.498 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aS,10R)-10-(2,5-dimethoxyphenyl)-2-phenyl-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carboline-1,3-quino (3aS,10R)-10-(2,5-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) 4.75 11.71 -12.06 1 7 0 75 453.498 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,10S)-10-(2,5-dimethoxyphenyl)-2-phenyl-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carboline-1,3-quino (3aR,10S)-10-(2,5-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) 4.75 0.88 -12.05 1 7 0 74 453.498 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3aR,10R)-10-(2,5-dimethoxyphenyl)-2-phenyl-3a,4,9,10-tetrahydroimidazo[1,5-b]$b-carboline-1,3-quino (3aR,10R)-10-(2,5-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) 4.75 11.66 -11.37 1 7 0 75 453.498 4 ↓

Analogs

9034076
9034076
9034077
9034077

Draw Identity 99% 90% 80% 70%

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

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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) 4.92 11.56 -18.63 1 9 0 101 511.534 6 ↓

Analogs

9034076
9034076
9034077
9034077

Draw Identity 99% 90% 80% 70%

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

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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) 4.92 11.94 -18.11 1 9 0 101 511.534 6 ↓

Parameters Provided:

ring.id = 231240
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 = 231240 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=231240&filter.purchasability=annotated

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