UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: 2-[2-methoxy-4-[(E)-[(2Z)-3-(o-tolyl)-2-(o-tolylimino)-4-oxo-thiazolidin-5-ylidene]methyl]phenoxy]ac 2-[2-methoxy-4-[(E)-[(2Z)-3-(o-t…

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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) 5.89 15.69 -59.56 0 7 -1 93 487.557 7 ↓
Lo Low (pH 4.5-6) 5.89 16.02 -68.44 1 7 0 95 488.565 7 ↓

Analogs

13576719
13576719
1808911
1808911

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Popular Name: (2Z,5E)-5-benzylidene-3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-thiazolidin-4-one (2Z,5E)-5-benzylidene-3-(4-ethox…

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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) 6.85 13.72 -10.31 0 5 0 53 444.556 7 ↓
Ref Reference (pH 7) 6.85 12.44 -9.14 0 5 0 53 444.556 7 ↓
Lo Low (pH 4.5-6) 6.85 14.03 -29.86 1 5 1 54 445.564 7 ↓

Analogs

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Popular Name: 5-(2-bromobenzylidene)-3-(4-methylphenyl)-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one 5-(2-bromobenzylidene)-3-(4-meth…

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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) 7.64 1.37 -10.32 1 0 0 34 463.4 3 ↓

Analogs

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Popular Name: 5-[4-(diethylamino)benzylidene]-3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-[4-(diethylamino)benzylidene]-…

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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) 8.67 2.91 -10.39 1 0 0 37 483.681 4 ↓

Analogs

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Popular Name: CCOc1cccc(c1O)/C=C/2\C(=O)N(/C(=N\c3ccccc3C)/S2)c4ccccc4C CCOc1cccc(c1O)/C=C/2\C(=O)N(/C(=…

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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) 6.92 13.12 -12.25 1 5 0 64 444.556 5 ↓
Ref Reference (pH 7) 6.92 11.83 -11.67 1 5 0 64 444.556 5 ↓
Hi High (pH 8-9.5) 6.92 12.76 -50.38 0 5 -1 67 443.548 5 ↓

Analogs

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Popular Name: 5-[4-(dimethylamino)benzylidene]-3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-[4-(dimethylamino)benzylidene]…

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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) 8.03 2.76 -11.07 1 0 0 37 455.627 4 ↓

Analogs

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Popular Name: 5-[4-(diethylamino)benzylidene]-3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-1,3-thiazolidin-4-one 5-[4-(diethylamino)benzylidene]-…

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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) 7.85 3.1 -11.56 1 0 0 37 455.627 4 ↓

Analogs

4470473
4470473

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Popular Name: 3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-5-(4-methylbenzylidene)-1,3-thiazolidin-4-one 3-(2-ethylphenyl)-2-[(2-ethylphe…

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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) 8.38 3.05 -10.12 1 0 0 34 426.585 3 ↓

Analogs

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Popular Name: 5-{3-bromo-2-hydroxy-5-nitrobenzylidene}-3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-{3-bromo-2-hydroxy-5-nitrobenz…

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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) 8.22 0.06 -31.93 2 0 -1 103 551.442 7 ↓

Analogs

39864042
39864042
39864520
39864520

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Popular Name: 3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-5-(2-fluorobenzylidene)-1,3-thiazolidin-4-one 3-(4-ethylphenyl)-2-[(4-ethylphe…

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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) 7.93 3.12 -10.36 1 0 0 34 430.548 3 ↓

Analogs

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Popular Name: 5-(2,4-dimethoxybenzylidene)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(2,4-dimethoxybenzylidene)-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) 7.85 2.57 -11.52 1 0 0 52 472.61 5 ↓

Analogs

39862694
39862694
39863601
39863601
39864042
39864042
39864089
39864089
39864520
39864520

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Popular Name: 5-(2-chloro-6-fluorobenzylidene)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(2-chloro-6-fluorobenzylidene)…

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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) 8.56 2.89 -10.97 1 0 0 34 464.993 3 ↓

Analogs

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Popular Name: 3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-5-(2-fluorobenzylidene)-1,3-thiazolidin-4-one 3-(2-ethylphenyl)-2-[(2-ethylphe…

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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) 8.04 3.45 -10.61 1 0 0 34 430.548 3 ↓

Analogs

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Popular Name: 5-(3,5-dibromo-2-hydroxybenzylidene)-3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(3,5-dibromo-2-hydroxybenzylid…

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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) 9.18 -0.59 -9.83 2 1 0 54 586.349 4 ↓

Analogs

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Popular Name: 5-(5-chloro-2-hydroxy-3-methoxybenzylidene)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(5-chloro-2-hydroxy-3-methoxyb…

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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) 7.99 0.76 -10.89 1 1 0 63 493.028 5 ↓

Analogs

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Popular Name: 5-(2-chlorobenzylidene)-3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(2-chlorobenzylidene)-3-(2-eth…

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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) 8.56 2.78 -9.73 1 0 0 34 447.003 3 ↓

Analogs

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Popular Name: 5-(2,5-dimethylbenzylidene)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(2,5-dimethylbenzylidene)-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) 8.64 3.01 -9.83 1 0 0 34 440.612 3 ↓

Analogs

33696465
33696465

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Popular Name: 5-(4-hydroxy-3-methoxybenzylidene)-3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-1,3-thiazolidin-4-one 5-(4-hydroxy-3-methoxybenzyliden…

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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) 6.34 11.91 -12.76 1 5 0 64 430.529 4 ↓

Analogs

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Popular Name: 5-(3-bromo-5-chloro-2-hydroxybenzylidene)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(3-bromo-5-chloro-2-hydroxyben…

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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) 8.94 -0.31 -9.6 2 1 0 54 541.898 4 ↓

Analogs

33721098
33721098
39862656
39862656
39863563
39863563
39865003
39865003

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Popular Name: 3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-5-(2,3,4-trimethoxybenzylidene)-1,3-thiazolidin-4-one 3-(4-ethylphenyl)-2-[(4-ethylphe…

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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) 7.64 3.44 -12.35 2 0 0 62 502.636 6 ↓

Analogs

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Popular Name: [4-bromo-2-({3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetic acid [4-bromo-2-({3-(2-methylphenyl)-…

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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) 7.04 1.58 -53.17 2 0 -1 83 536.427 6 ↓

Analogs

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Popular Name: 5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(3-bromo-5-ethoxy-4-hydroxyben…

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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) 8.49 0.13 -11.46 1 5 0 63 551.506 7 ↓

Analogs

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Popular Name: 5-(2,5-dimethoxybenzylidene)-3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-1,3-thiazolidin-4-one 5-(2,5-dimethoxybenzylidene)-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) 7.04 2.68 -13.41 0 5 0 52 444.556 5 ↓

Analogs

33696465
33696465

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Popular Name: 5-(3,4-dimethoxybenzylidene)-3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-1,3-thiazolidin-4-one 5-(3,4-dimethoxybenzylidene)-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) 6.64 2.99 -13.44 0 5 0 52 444.556 5 ↓

Analogs

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Popular Name: 3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-5-(2-methoxybenzylidene)-1,3-thiazolidin-4-one 3-(2-ethylphenyl)-2-[(2-ethylphe…

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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) 7.94 3.03 -11.56 0 4 0 43 442.584 6 ↓

Analogs

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Popular Name: methyl 4-({3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)benzoate methyl 4-({3-(2-ethylphenyl)-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) 8.10 3.89 -12.4 0 5 0 60 470.594 7 ↓

Analogs

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Popular Name: 5-(5-bromo-2-hydroxy-3-methoxybenzylidene)-3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-1,3-thiazolidin-4-one 5-(5-bromo-2-hydroxy-3-methoxybe…

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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) 7.30 0.31 -11.46 1 5 0 63 509.425 4 ↓

Analogs

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Popular Name: 3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-5-(2-propoxybenzylidene)-1,3-thiazolidin-4-one 3-(2-methylphenyl)-2-[(2-methylp…

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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) 7.88 2.79 -11.8 0 4 0 43 442.584 6 ↓

Analogs

39862686
39862686
39863593
39863593

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Popular Name: 3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-5-(3-methoxybenzylidene)-1,3-thiazolidin-4-one 3-(4-ethylphenyl)-2-[(4-ethylphe…

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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) 7.84 2.42 -11.63 0 4 0 43 442.584 6 ↓

Analogs

4470385
4470385

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Popular Name: 3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-4-one 3-(2-ethylphenyl)-2-[(2-ethylphe…

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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) 7.56 3.53 -12.85 0 6 0 62 502.636 8 ↓

Analogs

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Popular Name: 5-(5-chloro-2-hydroxy-3-methoxybenzylidene)-3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-1,3-thiazolidin-4-one 5-(5-chloro-2-hydroxy-3-methoxyb…

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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) 7.17 0.92 -11.54 1 5 0 63 464.974 4 ↓

Analogs

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Popular Name: 5-[4-(diethylamino)benzylidene]-3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-[4-(diethylamino)benzylidene]-…

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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) 8.78 3.22 -10.54 0 4 0 37 483.681 8 ↓

Analogs

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Popular Name: 3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-5-(4-isopropylbenzylidene)-1,3-thiazolidin-4-one 3-(4-ethylphenyl)-2-[(4-ethylphe…

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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) 9.32 3.2 -9.22 0 3 0 34 454.639 6 ↓

Analogs

39862694
39862694
39863601
39863601
39864089
39864089
39864567
39864567

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Popular Name: 5-(2-chloro-6-fluorobenzylidene)-3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-1,3-thiazolidin-4-one 5-(2-chloro-6-fluorobenzylidene)…

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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) 7.74 3.03 -11.69 0 3 0 34 436.939 3 ↓

Analogs

4470324
4470324
4470387
4470387

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Popular Name: Cc1ccccc1/N=C\2/N(C(=O)/C(=C\c3ccc(cc3)OCC(=O)O)/S2)c4ccccc4C Cc1ccccc1/N=C\2/N(C(=O)/C(=C\c3c…

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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) 6.30 15.59 -51.28 0 6 -1 84 457.531 6 ↓
Lo Low (pH 4.5-6) 6.30 15.92 -53.97 1 6 0 85 458.539 6 ↓

Analogs

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Popular Name: 5-(2-hydroxy-3-methoxybenzylidene)-3-(2-methylphenyl)-2-[(2-methylphenyl)imino]-1,3-thiazolidin-4-one 5-(2-hydroxy-3-methoxybenzyliden…

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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) 6.54 11.96 -13.36 1 5 0 64 430.529 4 ↓
Hi High (pH 8-9.5) 6.54 12.89 -51.17 0 5 -1 67 429.521 4 ↓
Lo Low (pH 4.5-6) 6.54 12.26 -26.86 2 5 1 65 431.537 4 ↓

Analogs

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Popular Name: 3-(3,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)imino]-5-(2-methoxybenzylidene)-1,3-thiazolidin-4-one 3-(3,4-dimethylphenyl)-2-[(3,4-d…

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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) 7.85 2.77 -12.86 0 4 0 43 442.584 4 ↓

Analogs

6905999
6905999

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Popular Name: 5-(3-bromo-4,5-dimethoxybenzylidene)-3-phenyl-2-(phenylimino)-1,3-thiazolidin-4-one 5-(3-bromo-4,5-dimethoxybenzylid…

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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) 6.56 1.26 -12.28 0 5 0 52 495.398 5 ↓

Analogs

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Popular Name: 2-[(Z)-[(2Z)-3-(3,4-dimethylphenyl)-2-(3,4-dimethylphenyl)imino-4-keto-thiazolidin-5-ylidene]methyl] 2-[(Z)-[(2Z)-3-(3,4-dimethylphen…

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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) 7.49 1.66 -50.29 0 7 -1 103 472.546 4 ↓

Analogs

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Popular Name: 5-(5-bromo-2-hydroxy-3-methoxybenzylidene)-3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(5-bromo-2-hydroxy-3-methoxybe…

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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) 8.23 0.45 -10.98 1 5 0 63 537.479 6 ↓

Analogs

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Popular Name: 5-(2-bromo-5-methoxybenzylidene)-3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(2-bromo-5-methoxybenzylidene)…

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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) 8.72 2.22 -10.39 0 4 0 43 521.48 6 ↓

Analogs

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Popular Name: 5-(5-chloro-2-hydroxy-3-methoxybenzylidene)-3-(3-methylphenyl)-2-[(3-methylphenyl)imino]-1,3-thiazolidin-4-one 5-(5-chloro-2-hydroxy-3-methoxyb…

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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) 7.22 0.41 -11.73 1 5 0 63 464.974 4 ↓

Analogs

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Popular Name: 5-(2-bromo-5-hydroxybenzylidene)-3-(3-methylphenyl)-2-[(3-methylphenyl)imino]-1,3-thiazolidin-4-one 5-(2-bromo-5-hydroxybenzylidene)…

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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) 7.30 -0.57 -11.5 1 4 0 54 479.399 3 ↓

Analogs

4470392
4470392

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Popular Name: 5-(3,4-dihydroxybenzylidene)-3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(3,4-dihydroxybenzylidene)-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) 6.96 -0.62 -13.99 2 5 0 74 444.556 5 ↓

Analogs

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Popular Name: 5-(3-bromo-5-chloro-2-hydroxybenzylidene)-3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(3-bromo-5-chloro-2-hydroxyben…

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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) 9.05 0.02 -9.78 1 4 0 54 541.898 5 ↓

Analogs

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Popular Name: 5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(3-chloro-4-hydroxy-5-methoxyb…

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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) 8.10 1.25 -12.14 1 5 0 63 493.028 6 ↓

Analogs

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Popular Name: 5-(5-bromo-2-ethoxybenzylidene)-3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(5-bromo-2-ethoxybenzylidene)-…

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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) 9.10 2.27 -10.55 0 4 0 43 535.507 7 ↓

Analogs

8430411
8430411

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Popular Name: 5-(3-bromo-4,5-dimethoxybenzylidene)-3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(3-bromo-4,5-dimethoxybenzylid…

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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) 8.51 2.76 -11.83 0 5 0 52 551.506 7 ↓

Analogs

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Popular Name: 5-(3-chloro-5-ethoxy-4-hydroxybenzylidene)-3-(2-ethylphenyl)-2-[(2-ethylphenyl)imino]-1,3-thiazolidin-4-one 5-(3-chloro-5-ethoxy-4-hydroxybe…

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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) 8.48 1.27 -11.84 1 5 0 63 507.055 7 ↓

Analogs

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Popular Name: 3-(3,4-dimethylphenyl)-2-[(3,4-dimethylphenyl)imino]-5-(4-hydroxybenzylidene)-1,3-thiazolidin-4-one 3-(3,4-dimethylphenyl)-2-[(3,4-d…

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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) 7.37 0.78 -13.19 1 4 0 54 428.557 3 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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 = 13582 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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