UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44683498
44683498
44683499
44683499

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Popular Name: (4-amino-1-cyclopropyl-pyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone (4-amino-1-cyclopropyl-pyrrol-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) 0.55 3.38 -7.63 2 5 0 61 249.314 2 ↓

Analogs

44683498
44683498
44683499
44683499

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1-cyclopropyl-pyrrol-2-yl)-[(3S)-3-methylmorpholin-4-yl]methanone (4-amino-1-cyclopropyl-pyrrol-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) 0.55 3.41 -7.8 2 5 0 61 249.314 2 ↓

Analogs

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Popular Name: (4-amino-1-cyclopropyl-pyrrol-2-yl)-[(2R,5R)-2,5-dimethylmorpholin-4-yl]methanone (4-amino-1-cyclopropyl-pyrrol-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) 0.91 4.31 -8.48 2 5 0 61 263.341 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1-cyclopropyl-pyrrol-2-yl)-[(2S,5R)-2,5-dimethylmorpholin-4-yl]methanone (4-amino-1-cyclopropyl-pyrrol-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) 0.91 4.15 -7.34 2 5 0 61 263.341 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1-cyclopropyl-pyrrol-2-yl)-[(2R,5S)-2,5-dimethylmorpholin-4-yl]methanone (4-amino-1-cyclopropyl-pyrrol-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) 0.91 4.11 -7.66 2 5 0 61 263.341 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1-cyclopropyl-pyrrol-2-yl)-[(2S,5S)-2,5-dimethylmorpholin-4-yl]methanone (4-amino-1-cyclopropyl-pyrrol-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) 0.91 4.27 -8.44 2 5 0 61 263.341 2 ↓

Analogs

43423311
43423311
43423312
43423312
43423313
43423313
43423314
43423314

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Popular Name: (4-amino-1-cyclopropyl-pyrrol-2-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone (4-amino-1-cyclopropyl-pyrrol-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) 1.09 4.33 -8.48 2 5 0 61 263.341 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1-cyclopropyl-pyrrol-2-yl)-[(2S)-2-ethylmorpholin-4-yl]methanone (4-amino-1-cyclopropyl-pyrrol-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) 1.09 4.31 -8.35 2 5 0 61 263.341 3 ↓

Analogs

43423311
43423311
43423312
43423312
43423313
43423313
43423314
43423314

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1-cyclopropyl-pyrrol-2-yl)-[(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]methanone (4-amino-1-cyclopropyl-pyrrol-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) 1.45 5.3 -8.04 2 5 0 61 277.368 3 ↓

Analogs

43423311
43423311
43423312
43423312
43423313
43423313
43423314
43423314

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1-cyclopropyl-pyrrol-2-yl)-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]methanone (4-amino-1-cyclopropyl-pyrrol-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) 1.45 4.75 -7.35 2 5 0 61 277.368 3 ↓

Analogs

43423311
43423311
43423312
43423312
43423313
43423313
43423314
43423314

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1-cyclopropyl-pyrrol-2-yl)-[(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]methanone (4-amino-1-cyclopropyl-pyrrol-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) 1.45 4.73 -7.44 2 5 0 61 277.368 3 ↓

Analogs

43423311
43423311
43423312
43423312
43423313
43423313
43423314
43423314

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1-cyclopropyl-pyrrol-2-yl)-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]methanone (4-amino-1-cyclopropyl-pyrrol-2-…

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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) 1.45 5.25 -8.13 2 5 0 61 277.368 3 ↓

Analogs

45661308
45661308
45661310
45661310

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Popular Name: (4-amino-1-cyclopropyl-pyrrol-2-yl)-(2,2-dimethylmorpholin-4-yl)methanone (4-amino-1-cyclopropyl-pyrrol-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) 1.03 4.29 -8.08 2 5 0 61 263.341 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1-cyclopropyl-pyrrol-2-yl)-[(3R)-3-ethylmorpholin-4-yl]methanone (4-amino-1-cyclopropyl-pyrrol-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) 1.09 4 -7.44 2 5 0 61 263.341 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-amino-1-cyclopropyl-pyrrol-2-yl)-[(3S)-3-ethylmorpholin-4-yl]methanone (4-amino-1-cyclopropyl-pyrrol-2-…

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) 1.09 4 -7.63 2 5 0 61 263.341 3 ↓

Analogs

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Popular Name: (4-bromo-1-cyclopropyl-pyrrol-2-yl)-(3,3-dimethylmorpholin-4-yl)methanone (4-bromo-1-cyclopropyl-pyrrol-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) 2.36 6.85 -6.33 0 4 0 34 327.222 2 ↓

Analogs

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Popular Name: (4-bromo-1-cyclopropyl-pyrrol-2-yl)-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone (4-bromo-1-cyclopropyl-pyrrol-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) 2.72 7.84 -6.65 0 4 0 34 341.249 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromo-1-cyclopropyl-pyrrol-2-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone (4-bromo-1-cyclopropyl-pyrrol-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) 2.72 7.8 -6.64 0 4 0 34 341.249 2 ↓

Parameters Provided:

ring.id = 112630
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 = 112630 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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