UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42550964
42550964
42550967
42550967
42550970
42550970
42550973
42550973
44660686
44660686

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Popular Name: 4-amino-1-cyclopropyl-N-[(1S)-1-cyclopropylethyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[(1S)-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) 1.33 4.52 -7.4 3 4 0 60 233.315 4 ↓

Analogs

42550964
42550964
42550967
42550967
42550970
42550970
42550973
42550973
44660686
44660686

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Popular Name: 4-amino-1-cyclopropyl-N-[(1R)-1-cyclopropylethyl]pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[(1R)-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) 1.33 4.67 -7.66 3 4 0 60 233.315 4 ↓

Analogs

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Popular Name: 4-amino-1-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-N-methyl-pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[(1S)-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) 1.57 6.04 -8.68 2 4 0 51 247.342 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-N-methyl-pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-[(1R)-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) 1.57 6.1 -8.8 2 4 0 51 247.342 4 ↓

Analogs

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Popular Name: 4-amino-1-cyclopropyl-N-(cyclopropylmethyl)-N-propyl-pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-(cyclopr…

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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) 2.12 7.34 -8.08 2 4 0 51 261.369 6 ↓

Analogs

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Popular Name: 4-amino-1-cyclopropyl-N-(cyclopropylmethyl)-N-ethyl-pyrrole-2-carboxamide 4-amino-1-cyclopropyl-N-(cyclopr…

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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) 1.62 6.55 -8.73 2 4 0 51 247.342 5 ↓

Analogs

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Popular Name: 4-bromo-1-cyclopropyl-N-(cyclopropylmethyl)-N-ethyl-pyrrole-2-carboxamide 4-bromo-1-cyclopropyl-N-(cyclopr…

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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) 2.95 9.31 -7.24 0 3 0 25 311.223 5 ↓

Parameters Provided:

ring.id = 112574
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 = 112574 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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