UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R)-3-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(3-methylquinoxa…

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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) 2.17 7.78 -48.24 0 5 -1 69 270.312 2 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(3-methylquinoxa…

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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) 2.17 7.8 -48.31 0 5 -1 69 270.312 2 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-quinoxalin-2-yl-pyrrolidine-3-carboxylic (3S)-3-methyl-1-quinoxalin-2-yl-…

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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) 1.95 6.63 -52.23 0 5 -1 69 256.285 2 ↓
Mid Mid (pH 6-8) 1.95 7.23 -41.41 1 5 0 70 257.293 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-1-quinoxalin-2-yl-pyrrolidine-3-carboxylic (3R)-3-methyl-1-quinoxalin-2-yl-…

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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) 1.95 6.7 -50.6 0 5 -1 69 256.285 2 ↓
Mid Mid (pH 6-8) 1.95 7.21 -41.41 1 5 0 70 257.293 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(3-methylquinoxal…

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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) 2.51 8.26 -47.3 0 5 -1 69 284.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-(3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(3-methylquinoxal…

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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) 2.51 8.36 -56.16 0 5 -1 69 284.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-ethyl-1-quinoxalin-2-yl-pyrrolidine-3-carboxylic (3S)-3-ethyl-1-quinoxalin-2-yl-p…

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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) 2.29 7.12 -51.47 0 5 -1 69 270.312 3 ↓
Mid Mid (pH 6-8) 2.29 7.25 -41.68 1 5 0 70 271.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-ethyl-1-quinoxalin-2-yl-pyrrolidine-3-carboxylic (3R)-3-ethyl-1-quinoxalin-2-yl-p…

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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) 2.29 7.21 -50.71 0 5 -1 69 270.312 3 ↓
Mid Mid (pH 6-8) 2.29 7.21 -42.21 1 5 0 70 271.32 3 ↓

Analogs

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Popular Name: (3S)-3-propyl-1-quinoxalin-2-yl-pyrrolidine-3-carboxylic (3S)-3-propyl-1-quinoxalin-2-yl-…

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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) 2.85 7.88 -51.85 0 5 -1 69 284.339 4 ↓
Mid Mid (pH 6-8) 2.85 8.56 -52.18 1 5 0 70 285.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-propyl-1-quinoxalin-2-yl-pyrrolidine-3-carboxylic (3R)-3-propyl-1-quinoxalin-2-yl-…

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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) 2.85 7.97 -51.04 0 5 -1 69 284.339 4 ↓
Mid Mid (pH 6-8) 2.85 8.45 -40.18 1 5 0 70 285.347 4 ↓

Analogs

41872616
41872616

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Popular Name: (2R)-1-quinoxalin-2-ylpyrrolidine-2-carboxamide (2R)-1-quinoxalin-2-ylpyrrolidin…

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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) 1.64 2.21 -17.26 2 5 0 72 242.282 2 ↓

Analogs

41872614
41872614

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Popular Name: (2S)-1-quinoxalin-2-ylpyrrolidine-2-carboxamide (2S)-1-quinoxalin-2-ylpyrrolidin…

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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) 1.64 2.27 -16.57 2 5 0 72 242.282 2 ↓

Analogs

41873207
41873207
48608255
48608255
48608256
48608256

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Popular Name: (2S)-N,N-dimethyl-1-quinoxalin-2-yl-pyrrolidine-2-carboxamide (2S)-N,N-dimethyl-1-quinoxalin-2…

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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) 1.26 5.61 -16.67 0 5 0 49 270.336 2 ↓

Analogs

41873206
41873206

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N,N-dimethyl-1-quinoxalin-2-yl-pyrrolidine-2-carboxamide (2R)-N,N-dimethyl-1-quinoxalin-2…

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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) 1.26 5.41 -17.49 0 5 0 49 270.336 2 ↓

Parameters Provided:

ring.id = 109142
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 = 109142 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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