UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[(4-ethylphenyl)methylene]-2-(4-methyl-1-piperidyl)-thiazol-4-one 5-[(4-ethylphenyl)methylene]-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) 4.33 -0.51 -13.82 0 3 0 33 314.454 3 ↓

Analogs

34577121
34577121

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Popular Name: methyl methyl

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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 -0.46 -24.55 1 6 0 85 304.327 4 ↓

Analogs

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Popular Name: N-[5-[(2-methoxyphenyl)methylene]-4-oxo-thiazol-2-yl]acetamide N-[5-[(2-methoxyphenyl)methylene…

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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) 1.39 -1.51 -24.91 1 5 0 68 276.317 3 ↓

Analogs

5373270
5373270

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Popular Name: 5-[(2-chloro-6-fluoro-phenyl)methylene]-2-(4-ethoxyphenyl)amino-thiazol-4-one 5-[(2-chloro-6-fluoro-phenyl)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) 5.33 -0.45 -13.21 1 4 0 51 376.84 5 ↓

Analogs

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Popular Name: (Z)-2-(2-(2-(4-bromophenoxy)ethoxy)benzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one (Z)-2-(2-(2-(4-bromophenoxy)etho…

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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) 6.21 -0.57 -16.9 0 5 0 52 493.382 6 ↓

Analogs

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Popular Name: (5Z)-5-[[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylene]-2-(1-piperidyl)thiazol-4-one (5Z)-5-[[3-(4-fluorophenyl)-1H-p…

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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) 3.32 7.59 -16.35 1 5 0 62 356.426 3 ↓
Lo Low (pH 4.5-6) 3.32 8.47 -29.65 2 5 1 63 357.434 3 ↓

Analogs

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Popular Name: (2Z,5Z)-2-(3,3-dimethyl-2-oxo-butylidene)-5-[[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylene]thiazoli (2Z,5Z)-2-(3,3-dimethyl-2-oxo-bu…

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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) 2.86 6.82 -26.24 1 6 0 85 383.473 6 ↓
Mid Mid (pH 6-8) 3.56 4.83 -50.19 1 6 -1 91 382.465 5 ↓

Analogs

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Popular Name: (5Z)-2-(3-methylanilino)-5-[(3-methylimidazo[1,5-a]pyridin-1-yl)methylene]thiazol-4-one (5Z)-2-(3-methylanilino)-5-[(3-m…

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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) 4.07 10.17 -60.15 0 5 -1 61 347.423 3 ↓
Mid Mid (pH 6-8) 4.07 10.6 -24.87 1 5 0 59 348.431 3 ↓

Analogs

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Popular Name: (5Z)-2-(3,4-dimethoxyphenyl)-5-[[3-(2-furyl)-1-phenyl-pyrazol-4-yl]methylene]thiazolo[2,3-e][1,2,4]t (5Z)-2-(3,4-dimethoxyphenyl)-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) 3.90 11.97 -18.14 0 9 0 97 497.536 6 ↓

Analogs

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Popular Name: (5Z)-5-[[3-(2-furyl)-1-phenyl-pyrazol-4-yl]methylene]-2-(m-tolyl)thiazolo[2,3-e][1,2,4]triazol-6-one (5Z)-5-[[3-(2-furyl)-1-phenyl-py…

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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) 4.68 13.38 -16.76 0 7 0 78 451.511 4 ↓

Analogs

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Popular Name: (5Z)-5-[[3-(2-furyl)-1-phenyl-pyrazol-4-yl]methylene]-2-(2-methoxyphenyl)thiazolo[2,3-e][1,2,4]triaz (5Z)-5-[[3-(2-furyl)-1-phenyl-py…

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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) 4.26 12.32 -20.03 0 8 0 87 467.51 5 ↓

Analogs

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Popular Name: (5Z)-2-(4-fluorophenyl)-5-[[3-(2-furyl)-1-phenyl-pyrazol-4-yl]methylene]thiazolo[2,3-e][1,2,4]triazo (5Z)-2-(4-fluorophenyl)-5-[[3-(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) 4.42 12.77 -15.19 0 7 0 78 455.474 4 ↓

Analogs

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Popular Name: (5Z)-5-[[5-(4-methyl-2-nitro-phenyl)-2-furyl]methylene]-2-morpholino-thiazol-4-one (5Z)-5-[[5-(4-methyl-2-nitro-phe…

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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) 3.62 8.78 -24.43 0 8 0 101 399.428 4 ↓
Lo Low (pH 4.5-6) 3.62 9.74 -31.66 1 8 1 103 400.436 4 ↓

Analogs

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Popular Name: (5Z)-5-[(E)-3-(2-furyl)prop-2-enylidene]-2-morpholino-thiazol-4-one (5Z)-5-[(E)-3-(2-furyl)prop-2-en…

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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) 1.94 5 -16.32 0 5 0 56 290.344 3 ↓

Analogs

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Popular Name: (5Z)-2-morpholino-5-(1H-pyrrol-2-ylmethylene)thiazol-4-one (5Z)-2-morpholino-5-(1H-pyrrol-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) 1.26 3.29 -15.19 1 5 0 58 263.322 2 ↓

Analogs

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Popular Name: (5E)-5-(1-acetyl-2-oxo-indolin-3-ylidene)-2-morpholino-thiazol-4-one (5E)-5-(1-acetyl-2-oxo-indolin-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) 2.20 6.49 -19.4 0 7 0 82 357.391 1 ↓

Analogs

8871981
8871981

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Popular Name: (5E)-5-(1-acetyl-5-bromo-2-oxo-indolin-3-ylidene)-2-(2,3-dimethylanilino)thiazol-4-one (5E)-5-(1-acetyl-5-bromo-2-oxo-i…

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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) 5.83 11.09 -39.97 0 6 -1 83 469.34 2 ↓
Mid Mid (pH 6-8) 5.83 11.69 -14.66 1 6 0 81 470.348 2 ↓

Analogs

4338982
4338982

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Popular Name: (5E)-5-[(2-methoxyphenyl)methylene]-2-(3-pyridylamino)thiazol-4-one (5E)-5-[(2-methoxyphenyl)methyle…

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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) 3.09 5.57 -39.64 0 5 -1 66 310.358 4 ↓
Mid Mid (pH 6-8) 3.09 6.03 -13.48 1 5 0 64 311.366 4 ↓
Lo Low (pH 4.5-6) 3.09 6.03 -35.36 1 5 0 67 311.366 4 ↓

Analogs

39869612
39869612
39869614
39869614
39869616
39869616
39869621
39869621
39869622
39869622

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Popular Name: (5E)-5-[(3,4-dimethoxyphenyl)methylene]-2-(2-hydroxyanilino)thiazol-4-one (5E)-5-[(3,4-dimethoxyphenyl)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) 3.53 5.17 -16.03 2 6 0 81 356.403 5 ↓
Mid Mid (pH 6-8) 3.53 4.38 -43.07 1 6 -1 83 355.395 5 ↓

Analogs

8871669
8871669

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Popular Name: (5E)-5-(1-acetyl-2-oxo-indolin-3-ylidene)-2-(2,3-dichloroanilino)thiazol-4-one (5E)-5-(1-acetyl-2-oxo-indolin-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) 5.50 10.13 -37.78 0 6 -1 83 431.28 2 ↓
Lo Low (pH 4.5-6) 5.50 10.86 -14.22 1 6 0 81 432.288 2 ↓

Analogs

627771
627771

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Popular Name: (2E)-2-(5-bromo-2-oxo-indolin-3-ylidene)thiazolo[3,2-a]benzimidazol-1-one (2E)-2-(5-bromo-2-oxo-indolin-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) 4.26 9.2 -15.69 1 5 0 67 398.241 0 ↓

Analogs

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Popular Name: (5E)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-[(4-propoxyphenyl)methylene]thiazol-4-one (5E)-2-[(2R,6S)-2,6-dimethylmorp…

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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) 3.77 7.98 -13.34 0 5 0 52 360.479 5 ↓
Lo Low (pH 4.5-6) 3.77 8.95 -32.71 1 5 1 53 361.487 5 ↓

Analogs

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Popular Name: (5E)-5-[(4-hydroxy-3-nitro-phenyl)methylene]-2-morpholino-thiazol-4-one (5E)-5-[(4-hydroxy-3-nitro-pheny…

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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) 1.78 4.2 -15.85 1 8 0 108 335.341 3 ↓

Analogs

8828951
8828951

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Popular Name: (5E)-5-(m-tolylmethylene)-2-[(N'Z)-N'-[(1R,4R)-1,7,7-trimethylnorbornan-2-ylidene]hydrazino]thiazol- (5E)-5-(m-tolylmethylene)-2-[(N'…

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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) 5.96 11.24 -9.3 1 4 0 58 367.518 2 ↓
Hi High (pH 8-9.5) 6.42 9.58 -52.26 0 4 -1 61 366.51 2 ↓
Lo Low (pH 4.5-6) 5.03 10.23 -15.66 1 4 0 54 367.518 3 ↓

Analogs

8426040
8426040

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Popular Name: (2E)-2-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]methylene]-5,6-dimethyl-thiazolo[3,2-a]benzimi (2E)-2-[[4-[(4-fluorophenyl)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) 5.91 14.08 -16.33 0 5 0 53 460.53 5 ↓

Analogs

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Popular Name: (5Z)-2-imino-5-[[3-(4-isopentyloxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]methylene]thiazolidin-4-on (5Z)-2-imino-5-[[3-(4-isopentylo…

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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) 5.05 10.46 -21.04 2 6 0 83 446.576 7 ↓
Hi High (pH 8-9.5) 5.05 10.53 -42.3 1 6 -1 81 445.568 7 ↓

Analogs

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Popular Name: (5Z)-2-(4-methylpiperazin-1-yl)-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylene]thiazol-4-one (5Z)-2-(4-methylpiperazin-1-yl)-…

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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) 3.76 8.98 -20.78 0 8 0 91 438.509 6 ↓

Analogs

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Popular Name: (5Z)-5-[(4-allyloxyphenyl)methylene]-2-(4-methylpiperazin-1-yl)thiazol-4-one (5Z)-5-[(4-allyloxyphenyl)methyl…

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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) 2.85 5.84 -14.36 0 5 0 46 343.452 5 ↓

Analogs

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Popular Name: (5Z)-2-(4-methylpiperazin-1-yl)-5-[[2-[(4-nitrophenyl)methoxy]phenyl]methylene]thiazol-4-one (5Z)-2-(4-methylpiperazin-1-yl)-…

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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) 3.72 9.11 -22.29 0 8 0 91 438.509 6 ↓

Analogs

4602318
4602318

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Popular Name: (5E)-2-(4-methylpiperazin-1-yl)-5-[(5-phenyl-2-furyl)methylene]thiazol-4-one (5E)-2-(4-methylpiperazin-1-yl)-…

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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) 3.33 8.52 -19.46 0 5 0 50 353.447 3 ↓

Analogs

4426147
4426147

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Popular Name: (5Z)-2-[(4-chlorophenyl)amino]-5-[(3-methoxyphenyl)methylene]thiazol-4-one (5Z)-2-[(4-chlorophenyl)amino]-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) 4.86 -0.79 -14.83 1 4 0 51 344.823 4 ↓

Analogs

39869675
39869675
39869778
39869778
39869881
39869881
39870186
39870186
5373303
5373303

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Popular Name: (3Z)-3-[(2Z)-2-(4-hydroxyphenyl)imino-4-oxo-thiazolidin-5-ylidene]-1-methyl-indolin-2-one (3Z)-3-[(2Z)-2-(4-hydroxyphenyl)…

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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) 3.51 4.87 -44.57 1 6 -1 86 350.379 2 ↓
Ref Reference (pH 7) 4.46 3.14 -47.92 1 6 -1 91 350.379 1 ↓
Mid Mid (pH 6-8) 4.00 4.96 -10.58 2 6 0 87 351.387 1 ↓

Analogs

39869752
39869752
4338973
4338973
8410591
8410591

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Popular Name: (5E)-5-[(5-bromo-2-furyl)methylene]-2-[(4-fluorophenyl)amino]thiazol-4-one (5E)-5-[(5-bromo-2-furyl)methyle…

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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) 4.51 -0.18 -18.01 1 4 0 55 367.199 3 ↓

Analogs

16937598
16937598
5811058
5811058
5586391
5586391
11847385
11847385

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Popular Name: (2E,5E)-5-[(4-hydroxy-3-methoxy-phenyl)methylene]-2-(3-hydroxyphenyl)imino-thiazolidin-4-one (2E,5E)-5-[(4-hydroxy-3-methoxy-…

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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) 2.99 2.26 -43.05 2 6 -1 94 341.368 4 ↓
Hi High (pH 8-9.5) 3.94 1.29 -42.75 2 6 -1 98 341.368 3 ↓

Analogs

6349149
6349149
4426159
4426159

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Popular Name: (5E)-2-[(4-chlorophenyl)amino]-5-(o-tolylmethylene)thiazol-4-one (5E)-2-[(4-chlorophenyl)amino]-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) 5.23 -0.85 -13.63 1 3 0 42 328.824 3 ↓

Analogs

16672841
16672841

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Popular Name: (2Z,5Z)-5-benzylidene-2-(2,3-dichlorophenyl)imino-thiazolidin-4-one (2Z,5Z)-5-benzylidene-2-(2,3-dic…

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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) 5.41 8.73 -38.77 0 3 -1 44 348.234 3 ↓
Hi High (pH 8-9.5) 6.36 6.84 -46.51 0 3 -1 48 348.234 2 ↓

Analogs

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Popular Name: (2Z,5Z)-2-(2,3-dichlorophenyl)imino-5-[(4-nitrophenyl)methylene]thiazolidin-4-one (2Z,5Z)-2-(2,3-dichlorophenyl)im…

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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) 5.37 9.4 -35.84 0 6 -1 90 393.231 4 ↓
Hi High (pH 8-9.5) 6.32 6.97 -42.8 0 6 -1 94 393.231 3 ↓

Analogs

36218314
36218314
13751600
13751600

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Popular Name: (5E)-5-[(4-hydroxy-3-nitro-phenyl)methylene]-2-[4-(o-tolyl)piperazin-1-yl]thiazol-4-one (5E)-5-[(4-hydroxy-3-nitro-pheny…

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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) 3.92 10.19 -15.29 1 8 0 102 424.482 4 ↓

Analogs

12660616
12660616

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Popular Name: (5E)-5-[(4-hydroxy-3-nitro-phenyl)methylene]-2-[4-(2-nitrophenyl)piperazin-1-yl]thiazol-4-one (5E)-5-[(4-hydroxy-3-nitro-pheny…

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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) 3.43 10.39 -23.05 1 11 0 148 455.452 5 ↓
Lo Low (pH 4.5-6) 3.43 11.34 -49.12 2 11 1 150 456.46 5 ↓

Analogs

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Popular Name: (5Z)-2-(cyclohexylamino)-5-[(4-nitrophenyl)methylene]thiazol-4-one (5Z)-2-(cyclohexylamino)-5-[(4-n…

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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) 3.88 7.89 -17.24 1 6 0 88 331.397 4 ↓
Hi High (pH 8-9.5) 3.88 6.99 -39.86 0 6 -1 90 330.389 4 ↓
Lo Low (pH 4.5-6) 3.88 8.86 -39.77 2 6 1 89 332.405 4 ↓

Analogs

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Popular Name: (5Z)-2-(cyclopentylamino)-5-[[2-(difluoromethoxy)-3-methoxy-phenyl]methylene]thiazol-4-one (5Z)-2-(cyclopentylamino)-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) 3.79 6.4 -17.7 1 5 0 60 368.405 6 ↓
Hi High (pH 8-9.5) 3.79 5.42 -45.93 0 5 -1 63 367.397 6 ↓
Lo Low (pH 4.5-6) 3.79 7.32 -33.41 2 5 1 62 369.413 6 ↓

Analogs

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Popular Name: (2E,5E)-2-(3,3-dimethyl-2-oxo-butylidene)-5-[(2-nitrophenyl)methylene]thiazolidin-4-one (2E,5E)-2-(3,3-dimethyl-2-oxo-bu…

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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) 2.73 8.39 -20.45 0 6 0 93 332.381 5 ↓

Analogs

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Popular Name: (5Z)-2-(cyclohexylamino)-5-[(2-ethoxy-1-naphthyl)methylene]thiazol-4-one (5Z)-2-(cyclohexylamino)-5-[(2-e…

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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) 5.47 10.32 -16.48 1 4 0 51 380.513 5 ↓
Lo Low (pH 4.5-6) 5.47 11.23 -28.24 2 4 1 52 381.521 5 ↓

Analogs

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Popular Name: (2E,5E)-5-[(4-hydroxy-3-nitro-phenyl)methylene]-2-[2-(4-methoxyphenyl)-2-oxo-ethylidene]thiazolidin- (2E,5E)-5-[(4-hydroxy-3-nitro-ph…

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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) 4.13 5.7 -48.55 1 8 -1 128 397.388 5 ↓
Mid Mid (pH 6-8) 4.13 6.71 -104.93 0 8 -2 131 396.38 5 ↓
Mid Mid (pH 6-8) 3.52 5.99 -47.67 1 8 -1 128 397.388 5 ↓

Analogs

26533602
26533602
16713739
16713739

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Popular Name: (5E)-5-[[3-(4-isobutoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-2-morpholino-thiazol-4-one (5E)-5-[[3-(4-isobutoxyphenyl)-1…

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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) 4.61 11.86 -16.7 0 7 0 69 488.613 7 ↓

Analogs

9730756
9730756

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Popular Name: (Z)-2-(3,5-dimethoxy-4-(2-(m-tolyloxy)ethoxy)benzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one (Z)-2-(3,5-dimethoxy-4-(2-(m-tol…

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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) 5.44 12.76 -18.88 0 7 0 71 488.565 8 ↓

Analogs

6244808
6244808

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Popular Name: (Z)-2-bromo-6-methoxy-4-((3-oxobenzo[4,5]imidazo[2,1-b]thiazol-2(3H)-ylidene)methyl)phenyl methanesulfonate (Z)-2-bromo-6-methoxy-4-((3-oxob…

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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) 3.66 7.4 -24.27 0 7 0 87 481.349 4 ↓

Analogs

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Popular Name: (Z)-2-(4-(3-(2-methoxyphenoxy)propoxy)benzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one (Z)-2-(4-(3-(2-methoxyphenoxy)pr…

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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) 5.33 12.69 -19.7 0 6 0 62 458.539 8 ↓

Analogs

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Popular Name: (2Z,5Z)-2-cyclopentylimino-5-[[2-(4-fluorophenyl)thiazol-4-yl]methylene]thiazolidin-4-one (2Z,5Z)-2-cyclopentylimino-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) 4.67 8.42 -16 1 4 0 55 373.478 4 ↓
Mid Mid (pH 6-8) 4.67 7.43 -48.2 0 4 -1 57 372.47 4 ↓

Analogs

1899763
1899763

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Popular Name: (5Z)-5-[(1-methylpyrrol-2-yl)methylene]-2-sulfanyl-thiazol-4-one (5Z)-5-[(1-methylpyrrol-2-yl)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) 1.77 -1.83 -13.17 0 3 0 35 224.31 1 ↓

Parameters Provided:

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