UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[3-Acetyl-4-hydroxy-2-(4-methoxy-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid 3-[3-Acetyl-4-hydroxy-2-(4-metho…

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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) 0.35 4.85 -96.19 0 7 -2 110 317.297 6 ↓
Mid Mid (pH 6-8) -0.23 5.27 -60.54 0 7 -1 104 318.305 6 ↓
Mid Mid (pH 6-8) 0.35 4.02 -52.41 1 7 -1 107 318.305 6 ↓

Analogs

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Popular Name: 3-[(2R,3Z)-2-(2,5-dimethoxyphenyl)-3-(1-hydroxyethylidene)-4,5-dioxo-pyrrolidin-1-yl]propanoic 3-[(2R,3Z)-2-(2,5-dimethoxypheny…

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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 5.21 -111.84 0 8 -2 119 347.323 7 ↓
Mid Mid (pH 6-8) 0.33 4.28 -49.43 1 8 -1 116 348.331 7 ↓

Analogs

19923229
19923229
19923231
19923231

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Popular Name: (4Z,5S)-1-[2-(2-hydroxyethylamino)ethyl]-4-(1-hydroxyethylidene)-5-(4-hydroxyphenyl)pyrrolidine-2,3- (4Z,5S)-1-[2-(2-hydroxyethylamin…

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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) -0.90 0.4 -79.66 4 7 0 117 320.345 7 ↓
Hi High (pH 8-9.5) -0.90 -1.09 -63.87 3 7 -1 113 319.337 7 ↓
Mid Mid (pH 6-8) -1.48 0.78 -68.34 4 7 1 112 321.353 7 ↓

Analogs

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Popular Name: (4Z,5R)-1-(2-bromoethyl)-5-(2-fluorophenyl)-4-(1-hydroxyethylidene)pyrrolidine-2,3-dione (4Z,5R)-1-(2-bromoethyl)-5-(2-fl…

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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) 1.63 7.33 -60.65 0 4 -1 60 341.156 4 ↓
Mid Mid (pH 6-8) 1.05 7.42 -27.43 0 4 0 54 342.164 4 ↓

Analogs

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Popular Name: 6-[(2S,3Z)-2-(4-fluorophenyl)-3-(1-hydroxyethylidene)-4,5-dioxo-pyrrolidin-1-yl]hexanoic 6-[(2S,3Z)-2-(4-fluorophenyl)-3-…

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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) 1.74 8.26 -113.34 0 6 -2 101 347.342 8 ↓
Mid Mid (pH 6-8) 1.15 8.85 -66.29 0 6 -1 95 348.35 8 ↓
Mid Mid (pH 6-8) 1.74 7.27 -61.72 1 6 -1 98 348.35 8 ↓

Analogs

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Popular Name: 3-[3-Acetyl-4-hydroxy-2-(4-isopropyl-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid 3-[3-Acetyl-4-hydroxy-2-(4-isopr…

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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) 1.80 8.28 -112.11 0 6 -2 101 329.352 6 ↓

Analogs

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Popular Name: 3-[3-Acetyl-4-hydroxy-2-(4-isopropyl-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid 3-[3-Acetyl-4-hydroxy-2-(4-isopr…

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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) 1.80 7.07 -97.95 0 6 -2 101 329.352 6 ↓

Analogs

4888874
4888874
5831218
5831218
5831300
5831300
2060966
2060966

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Popular Name: 4-acetyl-1-butyl-3-hydroxy-5-(2-nitrophenyl)-5H-pyrrol-2-one 4-acetyl-1-butyl-3-hydroxy-5-(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) 2.12 7.77 -53.33 0 7 -1 106 317.321 6 ↓
Lo Low (pH 4.5-6) 2.12 6.83 -11.06 1 7 0 103 318.329 6 ↓

Analogs

5831218
5831218
5831300
5831300
4888873
4888873

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Popular Name: 4-acetyl-1-butyl-3-hydroxy-5-(2-nitrophenyl)-5H-pyrrol-2-one 4-acetyl-1-butyl-3-hydroxy-5-(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) 2.12 7.98 -53.98 0 7 -1 106 317.321 6 ↓
Lo Low (pH 4.5-6) 2.12 7.05 -11.19 1 7 0 103 318.329 6 ↓

Analogs

4889008
4889008
1763111
1763111
1763115
1763115

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Popular Name: 4-acetyl-1-butyl-3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-5H-pyrrol-2-one 4-acetyl-1-butyl-3-hydroxy-5-(4-…

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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) 1.55 -1.02 -15.31 2 6 0 87 319.357 6 ↓
Mid Mid (pH 6-8) 0.97 -1.25 -26.21 1 6 0 83 319.357 6 ↓

Analogs

4889007
4889007
1763111
1763111

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Popular Name: 4-acetyl-1-butyl-3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-5H-pyrrol-2-one 4-acetyl-1-butyl-3-hydroxy-5-(4-…

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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) 1.55 -0.91 -15.11 2 6 0 87 319.357 6 ↓
Mid Mid (pH 6-8) 0.97 -1.1 -25.25 1 6 0 83 319.357 6 ↓

Parameters Provided:

ring.id = 42190
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 = 42190 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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