UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3S)-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-furyl)-N-isopentyl-3-methyl-1-oxo-4H-pyrrolo[1,2-d]pyrazi (3S)-2-[2-(3,4-dimethoxyphenyl)e…

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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) 3.92 11.04 -13.53 1 8 0 86 493.604 10 ↓

Analogs

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Popular Name: (3R)-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-furyl)-N-isopentyl-3-methyl-1-oxo-4H-pyrrolo[1,2-d]pyrazi (3R)-2-[2-(3,4-dimethoxyphenyl)e…

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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) 3.92 11.73 -13.22 1 8 0 86 493.604 10 ↓

Analogs

20920317
20920317
20920322
20920322

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Popular Name: (3R)-6-(2-furyl)-N-isopentyl-2-(3-isopropoxypropyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-d]pyrazine-3-carbo (3R)-6-(2-furyl)-N-isopentyl-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) 3.46 10.31 -12.44 1 7 0 77 429.561 10 ↓

Analogs

20920317
20920317
20920322
20920322

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Popular Name: (3S)-6-(2-furyl)-N-isopentyl-2-(3-isopropoxypropyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-d]pyrazine-3-carbo (3S)-6-(2-furyl)-N-isopentyl-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) 3.46 9.43 -10.58 1 7 0 77 429.561 10 ↓

Analogs

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Popular Name: (3S)-2-(3-diethylaminopropyl)-6-(2-furyl)-N-isopentyl-3-methyl-1-oxo-4H-pyrrolo[1,5-d]pyrazine-3-car (3S)-2-(3-diethylaminopropyl)-6-…

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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 11.2 -45 2 7 1 72 443.612 11 ↓

Analogs

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Popular Name: (3R)-2-(3-diethylaminopropyl)-6-(2-furyl)-N-isopentyl-3-methyl-1-oxo-4H-pyrrolo[1,5-d]pyrazine-3-car (3R)-2-(3-diethylaminopropyl)-6-…

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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 12.07 -39.97 2 7 1 72 443.612 11 ↓

Analogs

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Popular Name: (3S)-N-[(4-chlorophenyl)methyl]-2-(3-ethylphenyl)-6-(2-furyl)-3-methyl-1-oxo-4H-pyrrolo[1,5-d]pyrazi (3S)-N-[(4-chlorophenyl)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) 5.48 13.51 -13.12 1 6 0 67 487.987 6 ↓

Analogs

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Popular Name: (3R)-N-[(4-chlorophenyl)methyl]-2-(3-ethylphenyl)-6-(2-furyl)-3-methyl-1-oxo-4H-pyrrolo[1,5-d]pyrazi (3R)-N-[(4-chlorophenyl)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) 5.48 13.53 -10.95 1 6 0 67 487.987 6 ↓

Analogs

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Popular Name: (3S)-N-[(4-chlorophenyl)methyl]-6-(2-furyl)-3-methyl-1-oxo-2-(p-tolyl)-4H-pyrrolo[1,5-d]pyrazine-3-c (3S)-N-[(4-chlorophenyl)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) 5.04 12.77 -13.21 1 6 0 67 473.96 5 ↓

Analogs

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Popular Name: (3R)-N-[(4-chlorophenyl)methyl]-6-(2-furyl)-3-methyl-1-oxo-2-(p-tolyl)-4H-pyrrolo[1,5-d]pyrazine-3-c (3R)-N-[(4-chlorophenyl)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) 5.04 12.66 -10.77 1 6 0 67 473.96 5 ↓

Analogs

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Popular Name: (4S)-4-[(2-amino-3H-imidazol-4-yl)methyl]-6,7-dibromo-3,4-dihydro-2H-pyrrolo[5,1-c]pyrazin-1-one (4S)-4-[(2-amino-3H-imidazol-4-y…

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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) 1.71 4.14 -10.6 4 6 0 89 389.051 2 ↓
Mid Mid (pH 6-8) 1.71 4.63 -44.59 5 6 1 90 390.059 2 ↓

Analogs

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Popular Name: (4R)-4-[(2-amino-3H-imidazol-4-yl)methyl]-6,7-dibromo-3,4-dihydro-2H-pyrrolo[5,1-c]pyrazin-1-one (4R)-4-[(2-amino-3H-imidazol-4-y…

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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) 1.71 4.13 -10.61 4 6 0 89 389.051 2 ↓
Mid Mid (pH 6-8) 1.71 4.62 -44.59 5 6 1 90 390.059 2 ↓

Analogs

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Popular Name: N-[(4-ethylphenyl)methyl]-2-[(4R)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide N-[(4-ethylphenyl)methyl]-2-[(4R…

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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) 3.56 9.09 -9.84 2 5 0 63 387.483 6 ↓

Analogs

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Popular Name: N-[(4-ethylphenyl)methyl]-2-[(4S)-1-oxo-6-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetamide N-[(4-ethylphenyl)methyl]-2-[(4S…

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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) 3.56 9.09 -9.83 2 5 0 63 387.483 6 ↓

Parameters Provided:

ring.id = 84103
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 = 84103 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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