UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[(4-methoxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-N-methyl-acetamide 2-[5-[(4-methoxyphenyl)methylene…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.06 5.02 -15.64 1 5 0 60 322.411 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-3-[(5Z)-5-[(2-fluorophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanamide N-butyl-3-[(5Z)-5-[(2-fluorophen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.82 8.62 -11.38 1 4 0 51 366.483 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.80 10.42 -12.33 0 4 0 48 400.319 6 ↓

Analogs

5376045
5376045
1208567
1208567

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 10.42 -16.96 0 6 0 75 379.459 8 ↓

Analogs

48639135
48639135
1231246
1231246

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5Z)-5-[(3,5-dichlorophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic 2-[(5Z)-5-[(3,5-dichlorophenyl)m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.42 -1.09 -52.54 0 4 -1 62 347.224 3 ↓

Analogs

16926551
16926551
1907763
1907763

Draw Identity 99% 90% 80% 70%

Popular Name: 11-[(5E)-5-[(3-nitrophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]undecanoic 11-[(5E)-5-[(3-nitrophenyl)methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.15 0.19 -54.68 0 7 -1 108 449.574 13 ↓

Analogs

8871611
8871611

Draw Identity 99% 90% 80% 70%

Popular Name: N'-acetyl-3-[(5Z)-4-oxo-2-thioxo-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-3-yl]propanehydraz N'-acetyl-3-[(5Z)-4-oxo-2-thioxo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.02 -3.83 -18.1 2 9 0 108 439.515 8 ↓

Analogs

4850988
4850988
2239774
2239774

Draw Identity 99% 90% 80% 70%

Popular Name: pentyl pentyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.38 0.94 -11.37 0 4 0 48 391.558 10 ↓

Analogs

16661688
16661688
4340652
4340652
4340661
4340661

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-4-[(5E)-4-oxo-5-(p-tolylmethylene)-2-thioxo-thiazolidin-3-yl]butanamide N-butyl-4-[(5E)-4-oxo-5-(p-tolyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.43 -2.2 -14.18 1 4 0 51 376.547 8 ↓

Analogs

13541199
13541199
4340667
4340667
1183338
1183338

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-4-[(5E)-5-[(2-chlorophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanamide N-butyl-4-[(5E)-5-[(2-chlorophen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.61 -2.68 -12 1 4 0 51 396.965 8 ↓

Analogs

35624617
35624617
11852317
11852317

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(5Z)-5-[(3-bromophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-N-butyl-propanamide 3-[(5Z)-5-[(3-bromophenyl)methyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.49 -3.19 -11.54 1 4 0 51 427.389 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(5Z)-5-[(2-isopropoxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic 3-[(5Z)-5-[(2-isopropoxyphenyl)m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 8.59 -54.18 0 5 -1 71 350.441 6 ↓

Analogs

31934897
31934897
6781826
6781826

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-3-isopropyl-5-[(4-nitrophenyl)methylene]-2-thioxo-thiazolidin-4-one (5E)-3-isopropyl-5-[(4-nitrophen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.59 9.02 -12.26 0 5 0 68 308.384 3 ↓

Analogs

49412001
49412001
2053572
2053572

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-methyl-5-(m-tolylmethylene)-2-thioxo-thiazolidin-4-one (5Z)-3-methyl-5-(m-tolylmethylen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.32 -0.34 -7.87 0 2 0 22 249.36 1 ↓

Analogs

12907593
12907593
1319345
1319345

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3,4-dimethoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one 5-(3,4-dimethoxybenzylidene)-2-t…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.47 -2.01 -10.7 1 4 0 51 281.358 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5E)-5-[(2-chloro-5-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic 6-[(5E)-5-[(2-chloro-5-nitro-phe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.26 11.48 -55.94 0 7 -1 108 413.884 8 ↓

Analogs

40927812
40927812
40927815
40927815
40927829
40927829
40928070
40928070
40928076
40928076

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5Z)-5-[(4-butoxy-3-ethoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic 6-[(5Z)-5-[(4-butoxy-3-ethoxy-ph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 4.15 12.63 -55.13 0 6 -1 81 450.602 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5Z)-5-[[2-(difluoromethoxy)-3-methoxy-phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic 6-[(5Z)-5-[[2-(difluoromethoxy)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.07 9.68 -56.57 0 6 -1 81 430.474 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5Z)-5-[(2-isopropoxy-3-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic 6-[(5Z)-5-[(2-isopropoxy-3-metho…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.25 10.8 -54.23 0 6 -1 81 422.548 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5Z)-5-[(5-ethoxy-2-hydroxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic 6-[(5Z)-5-[(5-ethoxy-2-hydroxy-p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.04 7.46 -56.17 1 6 -1 92 394.494 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5E)-5-[(2-chloro-5-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]pentanoic 5-[(5E)-5-[(2-chloro-5-nitro-phe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 10.7 -56.15 0 7 -1 108 399.857 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5Z)-5-[(4-butoxy-3-ethoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]pentanoic 5-[(5Z)-5-[(4-butoxy-3-ethoxy-ph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.65 11.85 -54.26 0 6 -1 81 436.575 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(5Z)-5-[(5-ethoxy-2-hydroxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic 3-[(5Z)-5-[(5-ethoxy-2-hydroxy-p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.76 5.09 -55.48 1 6 -1 92 352.413 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(5E)-5-[(2-chloro-5-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic 4-[(5E)-5-[(2-chloro-5-nitro-phe…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.25 9.91 -56.27 0 7 -1 108 385.83 6 ↓

Analogs

40938432
40938432
40938443
40938443
40938586
40938586
40938588
40938588
2381866
2381866

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(5Z)-5-[(4-butoxy-3-ethoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic 4-[(5Z)-5-[(4-butoxy-3-ethoxy-ph…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.14 11.07 -55.42 0 6 -1 81 422.548 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(5Z)-5-[(5-ethoxy-2-hydroxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic 4-[(5Z)-5-[(5-ethoxy-2-hydroxy-p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.03 5.9 -56.85 1 6 -1 92 366.44 7 ↓

Analogs

3964163
3964163

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5Z)-5-[(5-ethoxy-2-hydroxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic 2-[(5Z)-5-[(5-ethoxy-2-hydroxy-p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.49 4.64 -56.45 1 6 -1 92 338.386 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5Z)-5-[[4-(difluoromethoxy)-3,5-dimethoxy-phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexa 6-[(5Z)-5-[[4-(difluoromethoxy)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.88 9.64 -57.53 0 7 -1 90 460.5 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5Z)-5-[[2-(difluoromethoxy)-3-ethoxy-phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic 6-[(5Z)-5-[[2-(difluoromethoxy)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.44 10.61 -55.99 0 6 -1 81 444.501 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5Z)-5-[[4-(difluoromethoxy)-3,5-dimethoxy-phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]pent 5-[(5Z)-5-[[4-(difluoromethoxy)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.37 8.85 -56.48 0 7 -1 90 446.473 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5Z)-5-[[2-(difluoromethoxy)-3-ethoxy-phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]pentanoic 5-[(5Z)-5-[[2-(difluoromethoxy)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.94 9.83 -55.02 0 6 -1 81 430.474 10 ↓

Analogs

7166363
7166363

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5Z)-4-oxo-2-thioxo-5-[(2,4,5-trimethylphenyl)methylene]thiazolidin-3-yl]pentanoic 5-[(5Z)-4-oxo-2-thioxo-5-[(2,4,5…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.39 10.99 -52.18 0 4 -1 62 362.496 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(5Z)-5-[[4-(difluoromethoxy)-3,5-dimethoxy-phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]prop 3-[(5Z)-5-[[4-(difluoromethoxy)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.60 7.27 -55.86 0 7 -1 90 418.419 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(5Z)-5-[[4-(difluoromethoxy)-3,5-dimethoxy-phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]buta 4-[(5Z)-5-[[4-(difluoromethoxy)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.87 8.08 -57.29 0 7 -1 90 432.446 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(5Z)-5-[[2-(difluoromethoxy)-3-ethoxy-phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic 4-[(5Z)-5-[[2-(difluoromethoxy)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.43 9.05 -56.18 0 6 -1 81 416.447 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5E)-4-oxo-2-thioxo-5-[[4-(trifluoromethylsulfanyl)phenyl]methylene]thiazolidin-3-yl]hexanoic 6-[(5E)-4-oxo-2-thioxo-5-[[4-(tr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.67 11.84 -53.53 0 4 -1 62 434.506 9 ↓

Analogs

7166292
7166292

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5E)-4-oxo-2-thioxo-5-[[2-(trifluoromethoxy)phenyl]methylene]thiazolidin-3-yl]pentanoic 5-[(5E)-4-oxo-2-thioxo-5-[[2-(tr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.11 9.41 -49.81 0 5 -1 71 404.411 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5E)-4-oxo-2-thioxo-5-[[4-(trifluoromethylsulfanyl)phenyl]methylene]thiazolidin-3-yl]pentanoic 5-[(5E)-4-oxo-2-thioxo-5-[[4-(tr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 6.17 11.06 -52.96 0 4 -1 62 420.479 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(5E)-4-oxo-2-thioxo-5-[[4-(trifluoromethylsulfanyl)phenyl]methylene]thiazolidin-3-yl]propanoic 3-[(5E)-4-oxo-2-thioxo-5-[[4-(tr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.39 9.46 -52.91 0 4 -1 62 392.425 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(5E)-4-oxo-2-thioxo-5-[[4-(trifluoromethylsulfanyl)phenyl]methylene]thiazolidin-3-yl]butanoic 4-[(5E)-4-oxo-2-thioxo-5-[[4-(tr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.66 10.27 -53.71 0 4 -1 62 406.452 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5E)-4-oxo-2-thioxo-5-[[2-(trifluoromethoxy)phenyl]methylene]thiazolidin-3-yl]acetic 2-[(5E)-4-oxo-2-thioxo-5-[[2-(tr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.06 7.38 -50.99 0 5 -1 71 362.33 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5E)-4-oxo-2-thioxo-5-[[4-(trifluoromethylsulfanyl)phenyl]methylene]thiazolidin-3-yl]acetic 2-[(5E)-4-oxo-2-thioxo-5-[[4-(tr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.12 9.02 -54.09 0 4 -1 62 378.398 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5Z)-5-[(4-hydroxy-5-methoxy-2-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic 2-[(5Z)-5-[(4-hydroxy-5-methoxy-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.37 5.11 -55.33 1 9 -1 137 369.356 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(5E)-4-oxo-2-thioxo-5-[[4-(trifluoromethoxy)phenyl]methylene]thiazolidin-3-yl]hexanoic 6-[(5E)-4-oxo-2-thioxo-5-[[4-(tr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.66 10.17 -54.41 0 5 -1 71 418.438 9 ↓

Analogs

7166310
7166310

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(5E)-4-oxo-2-thioxo-5-[[4-(trifluoromethoxy)phenyl]methylene]thiazolidin-3-yl]pentanoic 5-[(5E)-4-oxo-2-thioxo-5-[[4-(tr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.16 9.39 -53.84 0 5 -1 71 404.411 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(5E)-4-oxo-2-thioxo-5-[[4-(trifluoromethoxy)phenyl]methylene]thiazolidin-3-yl]propanoic 3-[(5E)-4-oxo-2-thioxo-5-[[4-(tr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.38 7.79 -55.98 0 5 -1 71 376.357 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(5E)-4-oxo-2-thioxo-5-[[4-(trifluoromethoxy)phenyl]methylene]thiazolidin-3-yl]butanoic 4-[(5E)-4-oxo-2-thioxo-5-[[4-(tr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.65 8.59 -55.96 0 5 -1 71 390.384 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5E)-4-oxo-2-thioxo-5-[[4-(trifluoromethoxy)phenyl]methylene]thiazolidin-3-yl]acetic 2-[(5E)-4-oxo-2-thioxo-5-[[4-(tr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.11 7.34 -56.01 0 5 -1 71 362.33 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(3-ethoxy-4-hydroxy-phenyl)methylene]-3-isobutyl-2-thioxo-thiazolidin-4-one (5Z)-5-[(3-ethoxy-4-hydroxy-phen…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 7.31 -9.91 1 4 0 51 337.466 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-[(4-isobutoxyphenyl)methylene]-3-methyl-2-thioxo-thiazolidin-4-one (5Z)-5-[(4-isobutoxyphenyl)methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.07 8.66 -8.36 0 3 0 31 307.44 4 ↓

Parameters Provided:

ring.id = 4766
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 = 4766 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=4766&filter.purchasability=annotated

Embed Link to Results