UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41542051
41542051
39847507
39847507
39847508
39847508
39847577
39847577
39847578
39847578

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Popular Name: (2S)-3-benzoyl-2-(2-furyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2S)-3-benzoyl-2-(2-furyl)-4-hyd…

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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) 2.07 8.72 -72.01 1 6 0 78 366.417 6 ↓
Lo Low (pH 4.5-6) 2.07 7.97 -50.56 2 6 1 75 367.425 6 ↓

Analogs

39847507
39847507
39847508
39847508
39847577
39847577
39847578
39847578
41542048
41542048

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Popular Name: (2R)-3-benzoyl-2-(2-furyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2R)-3-benzoyl-2-(2-furyl)-4-hyd…

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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) 2.07 8.64 -67.83 1 6 0 78 366.417 6 ↓
Lo Low (pH 4.5-6) 2.07 7.89 -45.47 2 6 1 75 367.425 6 ↓

Analogs

41542057
41542057
17112367
17112367

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Popular Name: (2S)-3-benzoyl-4-hydroxy-2-(5-methyl-2-furyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2S)-3-benzoyl-4-hydroxy-2-(5-me…

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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) 2.29 9.5 -68.11 1 6 0 78 380.444 6 ↓
Lo Low (pH 4.5-6) 2.29 8.74 -45.35 2 6 1 75 381.452 6 ↓

Analogs

41542054
41542054
19216347
19216347

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Popular Name: (2R)-3-benzoyl-4-hydroxy-2-(5-methyl-2-furyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2R)-3-benzoyl-4-hydroxy-2-(5-me…

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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) 2.29 9.54 -72.46 1 6 0 78 380.444 6 ↓
Lo Low (pH 4.5-6) 2.29 8.77 -50.58 2 6 1 75 381.452 6 ↓

Analogs

41542282
41542282
19927996
19927996

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Popular Name: (2S)-3-(4-fluorobenzoyl)-2-(2-furyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2S)-3-(4-fluorobenzoyl)-2-(2-fu…

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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) 2.23 8.73 -63.92 1 6 0 78 384.407 6 ↓
Lo Low (pH 4.5-6) 2.23 7.98 -45.75 2 6 1 75 385.415 6 ↓

Analogs

19927996
19927996

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Popular Name: (2R)-3-(4-fluorobenzoyl)-2-(2-furyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2R)-3-(4-fluorobenzoyl)-2-(2-fu…

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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) 2.23 8.78 -68.31 1 6 0 78 384.407 6 ↓
Lo Low (pH 4.5-6) 2.23 8.02 -50.86 2 6 1 75 385.415 6 ↓

Analogs

41542288
41542288
19928001
19928001

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Popular Name: (2S)-3-(4-fluorobenzoyl)-4-hydroxy-2-(5-methyl-2-furyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2S)-3-(4-fluorobenzoyl)-4-hydro…

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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) 2.45 9.56 -64.33 1 6 0 78 398.434 6 ↓
Lo Low (pH 4.5-6) 2.45 8.8 -45.6 2 6 1 75 399.442 6 ↓

Analogs

40124450
40124450
19928001
19928001

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Popular Name: (2R)-3-(4-fluorobenzoyl)-4-hydroxy-2-(5-methyl-2-furyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2R)-3-(4-fluorobenzoyl)-4-hydro…

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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) 2.45 9.6 -68.85 1 6 0 78 398.434 6 ↓
Lo Low (pH 4.5-6) 2.45 8.84 -50.83 2 6 1 75 399.442 6 ↓

Analogs

41542510
41542510
19883313
19883313

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Popular Name: (2S)-3-(4-chlorobenzoyl)-2-(2-furyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2S)-3-(4-chlorobenzoyl)-2-(2-fu…

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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) 2.75 9.19 -63.84 1 6 0 78 400.862 6 ↓
Lo Low (pH 4.5-6) 2.75 8.42 -45.25 2 6 1 75 401.87 6 ↓

Analogs

40117310
40117310
40117312
40117312
19883313
19883313

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Popular Name: (2R)-3-(4-chlorobenzoyl)-2-(2-furyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2R)-3-(4-chlorobenzoyl)-2-(2-fu…

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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) 2.75 9.24 -68.04 1 6 0 78 400.862 6 ↓
Lo Low (pH 4.5-6) 2.75 8.47 -50.25 2 6 1 75 401.87 6 ↓

Analogs

41542516
41542516
19928012
19928012

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Popular Name: (2S)-3-(4-chlorobenzoyl)-4-hydroxy-2-(5-methyl-2-furyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2S)-3-(4-chlorobenzoyl)-4-hydro…

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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) 2.97 10.02 -64.16 1 6 0 78 414.889 6 ↓
Lo Low (pH 4.5-6) 2.97 9.26 -45.1 2 6 1 75 415.897 6 ↓

Analogs

19928012
19928012

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Popular Name: (2R)-3-(4-chlorobenzoyl)-4-hydroxy-2-(5-methyl-2-furyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2R)-3-(4-chlorobenzoyl)-4-hydro…

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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) 2.97 10.05 -68.53 1 6 0 78 414.889 6 ↓
Lo Low (pH 4.5-6) 2.97 9.29 -50.33 2 6 1 75 415.897 6 ↓

Analogs

41542744
41542744
20188628
20188628

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Popular Name: (2S)-2-(2-furyl)-4-hydroxy-3-(4-methoxybenzoyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2S)-2-(2-furyl)-4-hydroxy-3-(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) 2.12 8.01 -70.5 1 7 0 87 396.443 7 ↓
Lo Low (pH 4.5-6) 2.12 7.28 -50.34 2 7 1 84 397.451 7 ↓

Analogs

41542741
41542741
20188628
20188628

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Popular Name: (2R)-2-(2-furyl)-4-hydroxy-3-(4-methoxybenzoyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2R)-2-(2-furyl)-4-hydroxy-3-(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) 2.12 7.95 -66.73 1 7 0 87 396.443 7 ↓
Lo Low (pH 4.5-6) 2.12 7.19 -45.55 2 7 1 84 397.451 7 ↓

Analogs

41542750
41542750
40077382
40077382
40077383
40077383
40117773
40117773
40117775
40117775

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Popular Name: (2S)-4-hydroxy-3-(4-methoxybenzoyl)-2-(5-methyl-2-furyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2S)-4-hydroxy-3-(4-methoxybenzo…

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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) 2.35 8.78 -66.93 1 7 0 87 410.47 7 ↓
Lo Low (pH 4.5-6) 2.35 8.03 -45.42 2 7 1 84 411.478 7 ↓

Analogs

40077382
40077382
40077383
40077383
40085341
40085341
40085342
40085342
19938535
19938535

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Popular Name: (2R)-4-hydroxy-3-(4-methoxybenzoyl)-2-(5-methyl-2-furyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2R)-4-hydroxy-3-(4-methoxybenzo…

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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) 2.35 8.83 -70.88 1 7 0 87 410.47 7 ↓
Lo Low (pH 4.5-6) 2.35 8.08 -50.25 2 7 1 84 411.478 7 ↓

Analogs

41542969
41542969

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Popular Name: (2S)-3-(3-fluoro-4-methoxy-benzoyl)-2-(2-furyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2S)-3-(3-fluoro-4-methoxy-benzo…

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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) 2.22 8.08 -66.23 1 7 0 87 414.433 7 ↓
Lo Low (pH 4.5-6) 2.22 7.33 -47.54 2 7 1 84 415.441 7 ↓

Analogs

41542966
41542966

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Popular Name: (2R)-3-(3-fluoro-4-methoxy-benzoyl)-2-(2-furyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2R)-3-(3-fluoro-4-methoxy-benzo…

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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) 2.22 8.01 -64.22 1 7 0 87 414.433 7 ↓
Lo Low (pH 4.5-6) 2.22 7.26 -44.38 2 7 1 84 415.441 7 ↓

Analogs

41542974
41542974

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Popular Name: (2S)-3-(3-fluoro-4-methoxy-benzoyl)-4-hydroxy-2-(5-methyl-2-furyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyr (2S)-3-(3-fluoro-4-methoxy-benzo…

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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) 2.44 8.86 -68.89 1 7 0 87 428.46 7 ↓
Lo Low (pH 4.5-6) 2.44 8.11 -51.12 2 7 1 84 429.468 7 ↓

Analogs

41542971
41542971

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Popular Name: (2R)-3-(3-fluoro-4-methoxy-benzoyl)-4-hydroxy-2-(5-methyl-2-furyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyr (2R)-3-(3-fluoro-4-methoxy-benzo…

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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) 2.44 8.9 -74.47 1 7 0 87 428.46 7 ↓
Lo Low (pH 4.5-6) 2.44 8.15 -57.39 2 7 1 84 429.468 7 ↓

Analogs

41543198
41543198
13719038
13719038
13719040
13719040

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Popular Name: (2S)-3-(5-fluoro-2-methoxy-benzoyl)-2-(2-furyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2S)-3-(5-fluoro-2-methoxy-benzo…

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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) 2.22 9.35 -70.88 1 7 0 87 414.433 7 ↓
Lo Low (pH 4.5-6) 2.22 8.6 -49.12 2 7 1 84 415.441 7 ↓

Analogs

39848325
39848325
39848326
39848326
39848393
39848393
39848394
39848394
13719038
13719038

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Popular Name: (2R)-3-(5-fluoro-2-methoxy-benzoyl)-2-(2-furyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one (2R)-3-(5-fluoro-2-methoxy-benzo…

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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) 2.22 9.28 -68.27 1 7 0 87 414.433 7 ↓
Lo Low (pH 4.5-6) 2.22 8.53 -45.41 2 7 1 84 415.441 7 ↓

Analogs

41543204
41543204
39848327
39848327
39848328
39848328
39848395
39848395
39848396
39848396

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Popular Name: (2S)-3-(5-fluoro-2-methoxy-benzoyl)-4-hydroxy-2-(5-methyl-2-furyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyr (2S)-3-(5-fluoro-2-methoxy-benzo…

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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) 2.44 10.13 -68.62 1 7 0 87 428.46 7 ↓
Lo Low (pH 4.5-6) 2.44 9.37 -45.24 2 7 1 84 429.468 7 ↓

Analogs

39848327
39848327
39848328
39848328
39848395
39848395
39848396
39848396
41543201
41543201

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Popular Name: (2R)-3-(5-fluoro-2-methoxy-benzoyl)-4-hydroxy-2-(5-methyl-2-furyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyr (2R)-3-(5-fluoro-2-methoxy-benzo…

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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) 2.44 10.17 -71.47 1 7 0 87 428.46 7 ↓
Lo Low (pH 4.5-6) 2.44 9.42 -49.19 2 7 1 84 429.468 7 ↓

Parameters Provided:

ring.id = 546531
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 = 546531 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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