UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

28101468
28101468

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Popular Name: 2-[4-(3-thienyl)phenyl]propanoic 2-[4-(3-thienyl)phenyl]propanoic

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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) 3.54 1.25 -48.65 0 2 -1 40 231.296 3 ↓

Analogs

11522579
11522579

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Popular Name: isopropylcarbamoylmethyl isopropylcarbamoylmethyl

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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 9.24 -11.82 1 4 0 55 317.41 6 ↓

Analogs

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Popular Name: 1-methylbutylcarbamoylmethyl 1-methylbutylcarbamoylmethyl

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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) 4.71 1.28 -11.89 1 4 0 55 345.464 8 ↓

Analogs

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Popular Name: 1-methylbutylcarbamoylmethyl 1-methylbutylcarbamoylmethyl

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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) 4.71 1.28 -11.88 1 4 0 55 345.464 8 ↓

Analogs

11523085
11523085
11523088
11523088

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Popular Name: 1-(methylcarbamoylcarbamoyl)ethyl 1-(methylcarbamoylcarbamoyl)ethyl

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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) 2.96 -0.73 -21.58 2 6 0 84 346.408 5 ↓

Analogs

11523085
11523085
11523088
11523088

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Popular Name: 1-(methylcarbamoylcarbamoyl)ethyl 1-(methylcarbamoylcarbamoyl)ethyl

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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) 2.96 -0.79 -21.53 2 6 0 84 346.408 5 ↓

Analogs

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Popular Name: ethoxycarbonylcarbamoylmethyl ethoxycarbonylcarbamoylmethyl

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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) 3.40 0.93 -16.95 1 6 0 81 347.392 7 ↓

Analogs

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Popular Name: 1-allophanoylethyl 1-allophanoylethyl

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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) 2.59 6.73 -21.58 3 6 0 98 332.381 5 ↓

Analogs

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Popular Name: 1-allophanoylethyl 1-allophanoylethyl

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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) 2.59 -1.65 -21.44 3 6 0 98 332.381 5 ↓

Analogs

8476779
8476779
23647145
23647145
1944868
1944868
1944916
1944916
1944920
1944920

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Popular Name: ethyl ethyl

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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) 3.97 1.87 -17.97 1 6 0 81 421.54 11 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.74 1.62 -17.96 1 6 0 81 421.54 11 ↓

Analogs

2758473
2758473

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Popular Name: 4-[[4-(4-isopropylphenyl)-3-methoxycarbonyl-5-methyl-2-thienyl]amino]-4-oxo-but-2-enoic 4-[[4-(4-isopropylphenyl)-3-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) 3.88 10.54 -61.11 1 6 -1 96 386.449 7 ↓

Analogs

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Popular Name: N-methyl-1-[4-[3-(trifluoromethoxy)phenyl]-2-thienyl]methanamine N-methyl-1-[4-[3-(trifluorometho…

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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) 4.06 6.76 -43.45 2 2 1 26 288.314 5 ↓
Hi High (pH 8-9.5) 4.06 5.31 -3.35 1 2 0 21 287.306 5 ↓

Analogs

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Popular Name: 2-acetamido-4-(2-chlorophenyl)thiophene-3-carboxylic-acid-ethyl-ester 2-acetamido-4-(2-chlorophenyl)th…

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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 0.87 -11.59 1 4 0 55 323.801 5 ↓

Analogs

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Popular Name: 1-[4-(2-fluorophenyl)-2-thienyl]-N-methyl-methanamine 1-[4-(2-fluorophenyl)-2-thienyl]…

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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) 3.23 7.19 -42.25 2 1 1 17 222.308 3 ↓
Hi High (pH 8-9.5) 3.23 5.75 -4 1 1 0 12 221.3 3 ↓

Analogs

42401970
42401970
42402073
42402073
42402077
42402077
42402090
42402090

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Popular Name: 1-[4-(2,3-dimethylphenyl)-2-thienyl]-N-methyl-methanamine 1-[4-(2,3-dimethylphenyl)-2-thie…

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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 8.19 -39.96 2 1 1 17 232.372 3 ↓
Hi High (pH 8-9.5) 3.92 6.74 -3.26 1 1 0 12 231.364 3 ↓

Analogs

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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) 3.48 6.48 -11.32 2 4 0 62 291.372 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 4.35 7.51 -9.37 2 3 0 52 316.209 4 ↓

Analogs

36224625
36224625

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Popular Name: ethyl ethyl

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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) 4.34 8.7 -9.94 2 3 0 52 289.4 5 ↓

Analogs

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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) 3.62 6.66 -10.95 2 4 0 62 291.372 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.83 7.12 -9.55 2 3 0 52 299.754 4 ↓

Analogs

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Popular Name: N-methoxy-3-(p-tolyl)thiophene-2-carboxamide N-methoxy-3-(p-tolyl)thiophene-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) 3.16 6.94 -12.03 1 3 0 38 247.319 3 ↓

Analogs

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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) 3.40 1.45 -18.79 1 6 0 82 413.904 9 ↓

Analogs

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Popular Name: 2-amino-4-(2,5-dichlorophenyl)-3-thiophenecarbonitrile 2-amino-4-(2,5-dichlorophenyl)-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) 3.89 -0.04 -7.66 2 2 0 50 269.156 1 ↓

Analogs

31919285
31919285
34153
34153

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Popular Name: 2-amino-4-(4-methylphenyl)-3-thiophenecarbonitrile 2-amino-4-(4-methylphenyl)-3-thi…

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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) 3.06 0.5 -8.21 2 2 0 50 214.293 1 ↓

Analogs

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Popular Name: 2-amino-4-(2-methoxy-5-methylphenyl)thiophene-3-carbonitrile 2-amino-4-(2-methoxy-5-methylphe…

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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) 3.04 0.75 -9.4 2 3 0 59 244.319 2 ↓

Analogs

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Popular Name: 2-amino-4-(2,5-dimethylphenyl)thiophene-3-carboxamide 2-amino-4-(2,5-dimethylphenyl)th…

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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) 2.50 -3.37 -10.08 4 3 0 69 246.335 2 ↓

Analogs

36224581
36224581
36224690
36224690
36224698
36224698
3182896
3182896

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Popular Name: ethyl 2-amino-4-(2-methoxy-5-methylphenyl)thiophene-3-carboxylate ethyl 2-amino-4-(2-methoxy-5-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.50 0.73 -10.62 2 4 0 62 291.372 5 ↓

Analogs

37993898
37993898

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Popular Name: 2-[(3-phenylthiophene-2-carbonyl)amino]acetic 2-[(3-phenylthiophene-2-carbonyl…

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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) 1.09 6.24 -45.08 1 4 -1 69 260.294 4 ↓

Analogs

37564389
37564389
37993898
37993898
44614785
44614785
44614788
44614788
47829493
47829493

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Popular Name: (2S)-2-[(3-phenylthiophene-2-carbonyl)amino]propanoic (2S)-2-[(3-phenylthiophene-2-car…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.87 7.02 -46.02 1 4 -1 69 274.321 4 ↓

Analogs

37564389
37564389
37993898
37993898
44614785
44614785
44614788
44614788
47829493
47829493

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Popular Name: (2R)-2-[(3-phenylthiophene-2-carbonyl)amino]propanoic (2R)-2-[(3-phenylthiophene-2-car…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.87 7.05 -45.89 1 4 -1 69 274.321 4 ↓

Analogs

37854338
37854338
37854389
37854389
37993898
37993898
48430922
48430922
30690409
30690409

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Popular Name: 2-[methyl-(3-phenylthiophene-2-carbonyl)amino]acetic 2-[methyl-(3-phenylthiophene-2-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) 1.33 8.24 -55.55 0 4 -1 60 274.321 4 ↓

Analogs

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Popular Name: (2R)-2-[3-fluoro-4-(3-thienyl)phenyl]propanoic (2R)-2-[3-fluoro-4-(3-thienyl)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) 3.64 8 -49.23 0 2 -1 40 249.286 3 ↓

Analogs

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Popular Name: (2S)-2-[3-fluoro-4-(3-thienyl)phenyl]propanoic (2S)-2-[3-fluoro-4-(3-thienyl)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) 3.64 8.02 -45.27 0 2 -1 40 249.286 3 ↓

Analogs

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Popular Name: [(1S)-2-methoxy-1-methyl-ethyl] [(1S)-2-methoxy-1-methyl-ethyl]

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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) 4.04 10.26 -10.94 0 4 0 59 327.405 7 ↓

Analogs

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Popular Name: [(1S)-2-methoxy-1-methyl-ethyl] [(1S)-2-methoxy-1-methyl-ethyl]

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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) 4.04 10.05 -9.63 0 4 0 59 327.405 7 ↓

Analogs

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Popular Name: [(1R)-2-methoxy-1-methyl-ethyl] [(1R)-2-methoxy-1-methyl-ethyl]

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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) 4.04 10.26 -11 0 4 0 59 327.405 7 ↓

Analogs

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Popular Name: [(1R)-2-methoxy-1-methyl-ethyl] [(1R)-2-methoxy-1-methyl-ethyl]

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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) 4.04 10.05 -9.64 0 4 0 59 327.405 7 ↓

Analogs

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Popular Name: 3-phenyl-N-(2-sulfamoylethyl)thiophene-2-carboxamide 3-phenyl-N-(2-sulfamoylethyl)thi…

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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) 1.54 1.19 -21.29 3 5 0 89 310.4 5 ↓

Analogs

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Popular Name: 3-(4-fluorophenyl)-N-methylsulfonyl-thiophene-2-carboxamide 3-(4-fluorophenyl)-N-methylsulfo…

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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) 2.36 2.47 -53.3 0 4 -1 70 298.34 3 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-3-[(4-phenyl-2-thienyl)methylamino]propanamide N-(2-methoxyethyl)-3-[(4-phenyl-…

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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) 2.48 6.02 -48.01 3 4 1 55 319.45 9 ↓
Hi High (pH 8-9.5) 2.48 4.66 -9.27 2 4 0 50 318.442 9 ↓

Analogs

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Popular Name: N-[2-(isopropylamino)-2-oxo-ethyl]-4-(4-methoxyphenyl)-N,5-dimethyl-thiophene-2-carboxamide N-[2-(isopropylamino)-2-oxo-ethy…

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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) 3.56 7.41 -18 1 5 0 59 360.479 6 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-N-methyl-N'-[(4-phenyl-2-thienyl)methyl]ethane-1,2-diamine N-(2-methoxyethyl)-N-methyl-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) 3.13 7.58 -35.83 2 3 1 26 305.467 9 ↓
Hi High (pH 8-9.5) 3.13 5.17 -5.11 1 3 0 24 304.459 9 ↓
Mid Mid (pH 6-8) 3.13 6.54 -42.67 2 3 1 29 305.467 9 ↓

Analogs

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Popular Name: 2-acetamido-5-iodo-4-phenyl-thiophene-3-carboxylic-acid-ethyl-ester 2-acetamido-5-iodo-4-phenyl-thio…

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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) 4.01 0.03 -9.99 1 4 0 55 415.252 5 ↓

Analogs

3533133
3533133

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Popular Name: 2-acetamido-5-bromo-4-phenyl-thiophene-3-carboxylic-acid-ethyl-ester 2-acetamido-5-bromo-4-phenyl-thi…

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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) 3.73 0.12 -9.97 1 4 0 55 368.252 5 ↓

Analogs

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Popular Name: 5-methyl-4-phenyl-2-(valerylthiocarbamoylamino)thiophene-3-carboxylic-acid-ethyl-ester 5-methyl-4-phenyl-2-(valerylthio…

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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) 5.12 0.88 -16.97 2 5 0 67 404.557 10 ↓

Analogs

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Popular Name: 4-(4-bromophenyl)-2-(3,3-dimethylbutanoylthiocarbamoylamino)thiophene-3-carboxylic-acid-ethyl-ester 4-(4-bromophenyl)-2-(3,3-dimethy…

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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) 5.73 0.57 -14.59 2 5 0 67 483.453 9 ↓

Analogs

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Popular Name: 5-methyl-4-p-phenetyl-2-(valerylamino)thiophene-3-carboxylic-acid-methyl-ester 5-methyl-4-p-phenetyl-2-(valeryl…

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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) 4.98 1.53 -10.86 1 5 0 64 375.49 9 ↓

Analogs

1945628
1945628
1945847
1945847

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Popular Name: 4-(4-chlorophenyl)-5-methyl-2-(3-methylbut-2-enoylamino)thiophene-3-carboxylic-acid-ethyl-ester 4-(4-chlorophenyl)-5-methyl-2-(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) 5.33 1.55 -8.79 1 4 0 55 377.893 6 ↓

Analogs

6126241
6126241
6126271
6126271

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Popular Name: methyl 4-(4-fluorophenyl)-2-(octanoylamino)-3-thiophenecarboxylate methyl 4-(4-fluorophenyl)-2-(oct…

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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) 6.00 2.51 -10.42 1 4 0 55 377.481 10 ↓

Parameters Provided:

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

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