UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-amino-N-methyl-N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide 4-amino-N-methyl-N-(3-phenylprop…

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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) 2.26 6.21 -12.52 3 4 0 62 257.337 5 ↓
Mid Mid (pH 6-8) 1.82 4.94 -52.07 3 4 1 60 258.345 5 ↓

Analogs

44660671
44660671
44660673
44660673
44660675
44660675
44660677
44660677
44660679
44660679

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Popular Name: 4-amino-1-ethyl-N-methyl-N-(3-phenylpropyl)pyrrole-2-carboxamide 4-amino-1-ethyl-N-methyl-N-(3-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) 2.71 8.14 -9.81 2 4 0 51 285.391 6 ↓

Analogs

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Popular Name: 4-amino-N,1-dimethyl-N-(3-phenylpropyl)pyrrole-2-carboxamide 4-amino-N,1-dimethyl-N-(3-phenyl…

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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) 2.33 7.26 -10.4 2 4 0 51 271.364 5 ↓

Analogs

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Popular Name: 4-bromo-N-[3-(3,4-dichlorophenyl)propyl]-1H-pyrrole-2-carboxamide 4-bromo-N-[3-(3,4-dichlorophenyl…

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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) 4.63 7.57 -12.24 2 3 0 45 376.081 5 ↓

Analogs

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Popular Name: N-[(1S)-3-(4-bromophenyl)-1-methyl-propyl]-4-chloro-1H-pyrrole-2-carboxamide N-[(1S)-3-(4-bromophenyl)-1-meth…

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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) 4.35 8.11 -11.69 2 3 0 45 355.663 5 ↓

Analogs

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Popular Name: N-[(1R)-3-(4-bromophenyl)-1-methyl-propyl]-4-chloro-1H-pyrrole-2-carboxamide N-[(1R)-3-(4-bromophenyl)-1-meth…

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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) 4.35 8.11 -11.69 2 3 0 45 355.663 5 ↓

Analogs

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Popular Name: 4-chloro-N-[3-(3,4-dichlorophenyl)propyl]-1H-pyrrole-2-carboxamide 4-chloro-N-[3-(3,4-dichloropheny…

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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 7.46 -12.29 2 3 0 45 331.63 5 ↓

Analogs

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Popular Name: 4-amino-N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide 4-amino-N-(3-phenylpropyl)-1H-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) 2.02 3.84 -10.7 4 4 0 71 243.31 5 ↓
Mid Mid (pH 6-8) 1.58 1.99 -51.73 4 4 1 69 244.318 5 ↓

Analogs

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Popular Name: 4-amino-1-methyl-N-(3-phenylpropyl)pyrrole-2-carboxamide 4-amino-1-methyl-N-(3-phenylprop…

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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) 2.09 5.47 -8.51 3 4 0 60 257.337 5 ↓

Analogs

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Popular Name: 4-amino-1-ethyl-N-(3-phenylpropyl)pyrrole-2-carboxamide 4-amino-1-ethyl-N-(3-phenylpropy…

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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) 2.46 6.35 -8.2 3 4 0 60 271.364 6 ↓

Analogs

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Popular Name: 4-amino-N-(3-phenylpropyl)-1-propyl-pyrrole-2-carboxamide 4-amino-N-(3-phenylpropyl)-1-pro…

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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) 2.96 7.09 -8.08 3 4 0 60 285.391 7 ↓

Analogs

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Popular Name: 4-amino-1-isopropyl-N-(3-phenylpropyl)pyrrole-2-carboxamide 4-amino-1-isopropyl-N-(3-phenylp…

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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) 2.83 6.92 -8.13 3 4 0 60 285.391 6 ↓

Analogs

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Popular Name: 4-bromo-1-ethyl-N-(3-phenylpropyl)pyrrole-2-carboxamide 4-bromo-1-ethyl-N-(3-phenylpropy…

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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) 3.79 9.12 -7.3 1 3 0 34 335.245 6 ↓

Analogs

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Popular Name: 4-bromo-1-isopropyl-N-(3-phenylpropyl)pyrrole-2-carboxamide 4-bromo-1-isopropyl-N-(3-phenylp…

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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) 4.15 9.67 -7.05 1 3 0 34 349.272 6 ↓

Analogs

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Popular Name: N-isopropyl-N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide N-isopropyl-N-(3-phenylpropyl)-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) 3.52 10.14 -11 1 3 0 36 270.376 6 ↓

Parameters Provided:

ring.id = 112953
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 = 112953 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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