UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43411049
43411049

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Popular Name: 4-amino-N-[2-(cyclopropylamino)-2-oxo-ethyl]-1-isopropyl-pyrrole-2-carboxamide 4-amino-N-[2-(cyclopropylamino)-…

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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) 0.48 1.72 -9.34 4 6 0 89 264.329 5 ↓

Analogs

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Popular Name: 4-amino-N-[2-(cyclopropylamino)-2-oxo-ethyl]-1H-pyrrole-2-carboxamide 4-amino-N-[2-(cyclopropylamino)-…

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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) -0.33 -1.36 -10.54 5 6 0 100 222.248 4 ↓
Mid Mid (pH 6-8) -0.77 -3.21 -53.49 5 6 1 98 223.256 4 ↓

Analogs

43411045
43411045

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Popular Name: 4-amino-N-[2-(cyclopropylamino)-2-oxo-ethyl]-1-ethyl-pyrrole-2-carboxamide 4-amino-N-[2-(cyclopropylamino)-…

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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) 0.11 1.16 -9.43 4 6 0 89 250.302 5 ↓

Analogs

44683292
44683292
44683294
44683294

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Popular Name: 4-amino-N-[2-(cyclopropylamino)-2-oxo-ethyl]-1-methyl-pyrrole-2-carboxamide 4-amino-N-[2-(cyclopropylamino)-…

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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) -0.26 0.27 -9.77 4 6 0 89 236.275 4 ↓

Analogs

43411048
43411048

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Popular Name: 4-amino-N-[2-(cyclopropylamino)-2-oxo-ethyl]-1-propyl-pyrrole-2-carboxamide 4-amino-N-[2-(cyclopropylamino)-…

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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) 0.62 1.9 -9.29 4 6 0 89 264.329 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[2-(cyclopropylamino)-2-oxo-ethyl]-1-isopropyl-N-methyl-pyrrole-2-carboxamide 4-amino-N-[2-(cyclopropylamino)-…

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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) 0.72 3.75 -14.8 3 6 0 80 278.356 5 ↓

Analogs

45662043
45662043

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Popular Name: 4-amino-N-[2-(cyclopropylamino)-2-oxo-ethyl]-N-methyl-1H-pyrrole-2-carboxamide 4-amino-N-[2-(cyclopropylamino)-…

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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) -0.09 1.27 -17.59 4 6 0 91 236.275 4 ↓
Mid Mid (pH 6-8) -0.53 -0.01 -56.07 4 6 1 89 237.283 4 ↓

Analogs

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Popular Name: 4-amino-N-[2-(cyclopropylamino)-2-oxo-ethyl]-1-ethyl-N-methyl-pyrrole-2-carboxamide 4-amino-N-[2-(cyclopropylamino)-…

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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) 0.36 3.19 -14.86 3 6 0 80 264.329 5 ↓

Analogs

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Popular Name: 4-amino-N-[2-(cyclopropylamino)-2-oxo-ethyl]-N,1-dimethyl-pyrrole-2-carboxamide 4-amino-N-[2-(cyclopropylamino)-…

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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) -0.02 2.32 -15.1 3 6 0 80 250.302 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[2-(cyclopropylamino)-2-oxo-ethyl]-N-methyl-1-propyl-pyrrole-2-carboxamide 4-amino-N-[2-(cyclopropylamino)-…

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) 0.86 3.94 -14.55 3 6 0 80 278.356 6 ↓

Parameters Provided:

ring.id = 38642
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 = 38642 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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