UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-amino-1-(2-methoxyphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxylic-acid-ethyl-ester 2-amino-1-(2-methoxyphenyl)pyrro…

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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) 3.56 -0.43 -18.61 2 7 0 92 362.389 5 ↓

Analogs

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Popular Name: 2-amino-1-(3-fluorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide 2-amino-1-(3-fluorophenyl)pyrrol…

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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) 2.30 -3.75 -18.72 4 6 0 99 321.315 2 ↓

Analogs

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Popular Name: 2-amino-1-(2,4-dimethylphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxylic-acid-ethyl-ester 2-amino-1-(2,4-dimethylphenyl)py…

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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) 4.37 0.32 -15.46 2 6 0 83 360.417 4 ↓

Analogs

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Popular Name: 2-amino-1-(2-bromo-4-methyl-phenyl)pyrrolo[2,3-b]quinoxaline-3-carbonitrile 2-amino-1-(2-bromo-4-methyl-phen…

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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) 4.28 -0.31 -14.04 2 5 0 80 378.233 1 ↓

Analogs

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Popular Name: 2-amino-1-(3-chloro-4-methyl-phenyl)pyrrolo[2,3-b]quinoxaline-3-carboxylic-acid-ethyl-ester 2-amino-1-(3-chloro-4-methyl-phe…

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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) 4.60 10.55 -14.77 2 6 0 83 380.835 4 ↓
Mid Mid (pH 6-8) 4.60 10.93 -25.01 3 6 1 84 381.843 4 ↓

Analogs

8836588
8836588

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Popular Name: 2-amino-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]quinoxaline-3-carboxylic-acid-ethyl-ester 2-amino-1-[3-(trifluoromethyl)ph…

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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 1.64 -15.4 2 6 0 83 400.36 5 ↓

Analogs

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Popular Name: 2-amino-1-[3-(trifluoromethyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carbonitrile 2-amino-1-[3-(trifluoromethyl)ph…

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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) 3.97 2.03 -13.78 2 5 0 80 353.307 2 ↓

Analogs

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Popular Name: 2-amino-1-(3-hydroxyphenyl)pyrrolo[2,3-b]quinoxaline-3-carboxylic-acid-heptyl-ester 2-amino-1-(3-hydroxyphenyl)pyrro…

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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) 5.62 10.52 -15.84 3 7 0 103 418.497 9 ↓
Mid Mid (pH 6-8) 5.62 10.91 -25.78 4 7 1 105 419.505 9 ↓

Analogs

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Popular Name: 3-(2-amino-3-butoxycarbonyl-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate 3-(2-amino-3-butoxycarbonyl-pyrr…

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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) 4.50 -0.76 -56.23 2 8 -1 123 403.418 7 ↓

Analogs

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Popular Name: allyl allyl

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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) 3.31 -2.06 -17.31 3 7 0 103 360.373 5 ↓

Analogs

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Popular Name: N-[3-cyano-1-(4-hydroxyphenyl)pyrrolo[2,3-b]quinoxalin-2-yl]propanamide N-[3-cyano-1-(4-hydroxyphenyl)py…

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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) 2.98 7.03 -21.08 2 7 0 104 357.373 3 ↓

Parameters Provided:

ring.id = 1321
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 = 1321 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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