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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40046841
40046841
40046842
40046842
40046849
40046849
40046850
40046850
40075544
40075544

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Popular Name: (5R)-1-(3-diethylaminopropyl)-5-(2-furyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-5H-pyrrol-2-one (5R)-1-(3-diethylaminopropyl)-5-…

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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) 2.17 8.67 -72.36 1 7 0 91 386.448 9 ↓
Mid Mid (pH 6-8) 2.17 7.92 -43.58 2 7 1 88 387.456 9 ↓

Analogs

40046841
40046841
40046842
40046842
40046849
40046849
40046850
40046850
40075544
40075544

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-1-(3-diethylaminopropyl)-5-(2-furyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-5H-pyrrol-2-one (5S)-1-(3-diethylaminopropyl)-5-…

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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) 2.17 8.88 -72 1 7 0 91 386.448 9 ↓
Mid Mid (pH 6-8) 2.17 8.06 -44.69 2 7 1 88 387.456 9 ↓

Analogs

41538654
41538654
5729356
5729356
5729358
5729358
6622543
6622543

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Popular Name: (2S)-3-(furan-2-carbonyl)-2-(2-furyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one (2S)-3-(furan-2-carbonyl)-2-(2-f…

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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) 0.89 3.53 -59.75 0 6 -1 87 272.236 3 ↓
Mid Mid (pH 6-8) 0.89 2.78 -14.04 1 6 0 84 273.244 3 ↓

Analogs

5729356
5729356
5729358
5729358
6622543
6622543

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(furan-2-carbonyl)-2-(2-furyl)-4-hydroxy-1-methyl-2H-pyrrol-5-one (2R)-3-(furan-2-carbonyl)-2-(2-f…

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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) 0.89 3.51 -59.75 0 6 -1 87 272.236 3 ↓
Mid Mid (pH 6-8) 0.89 2.76 -14.05 1 6 0 84 273.244 3 ↓

Analogs

41538662
41538662
6622189
6622189
6622190
6622190
6622216
6622216

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-(5-methyl-2-furyl)-2H-pyrrol-5-one (2S)-3-(furan-2-carbonyl)-4-hydr…

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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) 1.11 4.35 -60.86 0 6 -1 87 286.263 3 ↓
Mid Mid (pH 6-8) 1.11 3.6 -14.46 1 6 0 84 287.271 3 ↓

Analogs

6622126
6622126
6622159
6622159
6622190
6622190

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-(5-methyl-2-furyl)-2H-pyrrol-5-one (2R)-3-(furan-2-carbonyl)-4-hydr…

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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) 1.11 4.32 -60.7 0 6 -1 87 286.263 3 ↓
Mid Mid (pH 6-8) 1.11 3.57 -14.34 1 6 0 84 287.271 3 ↓

Analogs

41538953
41538953
41538957
41538957
41538961
41538961
6420803
6420803
6420818
6420818

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2-furyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (2S)-2-(2-furyl)-4-hydroxy-1-met…

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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) 1.11 4.36 -59.34 0 6 -1 87 286.263 3 ↓
Mid Mid (pH 6-8) 1.11 3.61 -13.23 1 6 0 84 287.271 3 ↓

Analogs

41538957
41538957
41538961
41538961
6420803
6420803
6420818
6420818
6553823
6553823

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2-furyl)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (2R)-2-(2-furyl)-4-hydroxy-1-met…

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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) 1.11 4.36 -59.82 0 6 -1 87 286.263 3 ↓
Mid Mid (pH 6-8) 1.11 3.61 -13.37 1 6 0 84 287.271 3 ↓

Analogs

41538961
41538961
6420834
6420834
6420843
6420843
6553854
6553854

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2-(5-methyl-2-furyl)-2H-pyrrol-5-one (2S)-4-hydroxy-1-methyl-3-(5-met…

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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 5.18 -60.99 0 6 -1 87 300.29 3 ↓
Mid Mid (pH 6-8) 1.34 4.42 -13.78 1 6 0 84 301.298 3 ↓

Analogs

6420834
6420834
6420843
6420843
6553823
6553823

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-hydroxy-1-methyl-3-(5-methylfuran-2-carbonyl)-2-(5-methyl-2-furyl)-2H-pyrrol-5-one (2R)-4-hydroxy-1-methyl-3-(5-met…

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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 5.14 -60.8 0 6 -1 87 300.29 3 ↓
Mid Mid (pH 6-8) 1.34 4.39 -13.66 1 6 0 84 301.298 3 ↓

Parameters Provided:

ring.id = 23111
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 = 23111 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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