UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-amino-N-cyclopentyl-N-ethyl-1-isopropyl-pyrrole-2-carboxamide 4-amino-N-cyclopentyl-N-ethyl-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) 2.52 6.72 -7.31 2 4 0 51 263.385 4 ↓

Analogs

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Popular Name: 4-amino-N-cyclopentyl-N-ethyl-1H-pyrrole-2-carboxamide 4-amino-N-cyclopentyl-N-ethyl-1H…

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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) 1.72 4.63 -9.75 3 4 0 62 221.304 3 ↓
Mid Mid (pH 6-8) 1.27 3.64 -49.31 3 4 1 60 222.312 3 ↓

Analogs

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Popular Name: 4-amino-N-cyclopentyl-N,1-diethyl-pyrrole-2-carboxamide 4-amino-N-cyclopentyl-N,1-diethy…

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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) 2.16 6.19 -7.07 2 4 0 51 249.358 4 ↓

Analogs

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Popular Name: 4-amino-N-cyclopentyl-N-ethyl-1-methyl-pyrrole-2-carboxamide 4-amino-N-cyclopentyl-N-ethyl-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) 1.78 5.28 -7.64 2 4 0 51 235.331 3 ↓

Analogs

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Popular Name: 4-amino-N-cyclopentyl-N-ethyl-1-propyl-pyrrole-2-carboxamide 4-amino-N-cyclopentyl-N-ethyl-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) 2.66 6.94 -6.98 2 4 0 51 263.385 5 ↓

Analogs

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Popular Name: 1-[(4,5-dichloro-1-methyl-pyrrole-2-carbonyl)amino]cyclopentanecarboxylic 1-[(4,5-dichloro-1-methyl-pyrrol…

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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) 0.50 7.01 -52.18 1 5 -1 74 304.153 3 ↓

Analogs

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Popular Name: N-cyclopentyl-1-methyl-pyrrole-2-carboxamide N-cyclopentyl-1-methyl-pyrrole-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) 1.75 5.22 -7.64 1 3 0 34 192.262 2 ↓

Analogs

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Popular Name: isopropyl isopropyl

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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) 1.58 3.81 -20.63 4 7 0 114 335.404 6 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-4-chloro-N-cyclopentyl-1H-pyrrole-2-carboxamide N-(2-amino-2-oxo-ethyl)-4-chloro…

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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) 1.27 3.41 -17.32 3 5 0 79 269.732 4 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-4-chloro-N-cyclopentyl-1-methyl-pyrrole-2-carboxamide N-(2-amino-2-oxo-ethyl)-4-chloro…

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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) 1.34 4.33 -14.01 2 5 0 68 283.759 4 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-4,5-dichloro-N-cyclopentyl-1-methyl-pyrrole-2-carboxamide N-(2-amino-2-oxo-ethyl)-4,5-dich…

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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) 2.14 4.69 -12.44 2 5 0 68 318.204 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.60 6.24 -11.89 2 5 0 71 284.743 5 ↓

Analogs

37791157
37791157

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Popular Name: ethyl ethyl

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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) 2.73 6.34 -11.83 2 5 0 71 329.194 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.28 7.78 -9.34 1 5 0 60 278.352 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.67 7.81 -8.53 1 5 0 60 298.77 5 ↓

Analogs

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Popular Name: 1-[(1-methyl-5-nitro-pyrrole-2-carbonyl)amino]cyclopentanecarboxylic 1-[(1-methyl-5-nitro-pyrrole-2-c…

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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) -0.83 7.64 -54.4 1 8 -1 120 280.26 4 ↓

Analogs

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Popular Name: 1-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]cyclopentanecarboxylic 1-[(1-methyl-4-nitro-pyrrole-2-c…

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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) -1.02 6.93 -54.94 1 8 -1 120 280.26 4 ↓

Analogs

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Popular Name: 1-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclopentanecarboxylic 1-[(1,5-dimethylpyrrole-2-carbon…

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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) -0.69 6.64 -59.25 1 5 -1 74 249.29 3 ↓

Analogs

36980978
36980978

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Popular Name: methyl methyl

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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) 3.09 7.2 -7.92 1 5 0 60 319.188 4 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 112620 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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