UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37034997
37034997
37035225
37035225
562918
562918
6260170
6260170
6406274
6406274

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Popular Name: N-(2,6-dichlorophenyl)-3-phenylsulfanyl-propanamide N-(2,6-dichlorophenyl)-3-phenyls…

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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 -0.24 -8.9 1 2 0 29 326.248 5 ↓

Analogs

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Popular Name: N-(4-methyl-3-sulfamoyl-phenyl)-3-phenylsulfanyl-propanamide N-(4-methyl-3-sulfamoyl-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) 2.52 -6.2 -14.21 3 5 0 89 350.465 6 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-sulfamoyl-phenyl)-propanamide 3-(4-chlorophenyl)sulfanyl-N-(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) 3.19 4.71 -13.92 3 5 0 89 384.91 6 ↓

Analogs

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Popular Name: 3-(4-fluorophenyl)sulfanyl-N-(4-methylsulfanylphenyl)-propanamide 3-(4-fluorophenyl)sulfanyl-N-(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) 4.04 0.03 -9.34 1 2 0 29 321.442 6 ↓

Analogs

37143641
37143641

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Popular Name: N-(4-methylsulfanylphenyl)-3-(p-tolylsulfanyl)propanamide N-(4-methylsulfanylphenyl)-3-(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) 4.33 -0.39 -10.19 1 2 0 29 317.479 6 ↓

Analogs

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Popular Name: 3-(4-methoxyphenyl)sulfanyl-N-(4-methylsulfanylphenyl)-propanamide 3-(4-methoxyphenyl)sulfanyl-N-(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) 3.94 -0.7 -10.98 1 3 0 38 333.478 7 ↓

Analogs

21691873
21691873

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Popular Name: N-(4-methylsulfonylphenyl)-3-phenylsulfanyl-propanamide N-(4-methylsulfonylphenyl)-3-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) 2.32 -3.97 -17.65 1 4 0 63 335.45 6 ↓

Analogs

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Popular Name: 3-(4-fluorophenyl)sulfanyl-N-(4-methylsulfonylphenyl)-propanamide 3-(4-fluorophenyl)sulfanyl-N-(4-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.48 -3.23 -17.76 1 4 0 63 353.44 6 ↓

Analogs

21691873
21691873

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Popular Name: N-(4-methylsulfonylphenyl)-3-(p-tolylsulfanyl)propanamide N-(4-methylsulfonylphenyl)-3-(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) 2.76 -3.65 -17.67 1 4 0 63 349.477 6 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)sulfanyl-N-(4-methylsulfonylphenyl)-propanamide 3-(4-chlorophenyl)sulfanyl-N-(4-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.99 -4.12 -17.27 1 4 0 63 369.895 6 ↓

Analogs

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Popular Name: 3-(4-methoxyphenyl)sulfanyl-N-(4-methylsulfonylphenyl)-propanamide 3-(4-methoxyphenyl)sulfanyl-N-(4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 -3.97 -18.44 1 5 0 72 365.476 7 ↓

Analogs

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Popular Name: 3-(4-fluorophenyl)sulfanyl-N-(2-methylsulfanylphenyl)-propanamide 3-(4-fluorophenyl)sulfanyl-N-(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) 3.99 0.29 -8.11 1 2 0 29 321.442 6 ↓

Analogs

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Popular Name: N-(2-methylsulfanylphenyl)-3-(p-tolylsulfanyl)propanamide N-(2-methylsulfanylphenyl)-3-(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) 4.28 -0.13 -8.26 1 2 0 29 317.479 6 ↓

Analogs

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Popular Name: 3-(4-methoxyphenyl)sulfanyl-N-(2-methylsulfanylphenyl)-propanamide 3-(4-methoxyphenyl)sulfanyl-N-(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) 3.89 -0.44 -9.1 1 3 0 38 333.478 7 ↓

Analogs

37032870
37032870

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Popular Name: N-(2-methylsulfonylphenyl)-3-phenylsulfanyl-propanamide N-(2-methylsulfonylphenyl)-3-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) 2.71 -3.15 -13.22 1 4 0 63 335.45 6 ↓

Analogs

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Popular Name: 3-(4-fluorophenyl)sulfanyl-N-(2-methylsulfonylphenyl)-propanamide 3-(4-fluorophenyl)sulfanyl-N-(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) 2.87 -2.41 -13.35 1 4 0 63 353.44 6 ↓

Analogs

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Popular Name: N-(2-methylsulfonylphenyl)-3-(p-tolylsulfanyl)propanamide N-(2-methylsulfonylphenyl)-3-(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) 3.15 -2.83 -13.19 1 4 0 63 349.477 6 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)sulfanyl-N-(2-methylsulfonylphenyl)-propanamide 3-(4-chlorophenyl)sulfanyl-N-(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) 3.38 -3.3 -12.91 1 4 0 63 369.895 6 ↓

Analogs

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Popular Name: 3-(4-methoxyphenyl)sulfanyl-N-(2-methylsulfonylphenyl)-propanamide 3-(4-methoxyphenyl)sulfanyl-N-(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) 2.76 -3.14 -14.16 1 5 0 72 365.476 7 ↓

Analogs

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Popular Name: 3-(4-bromophenyl)sulfanyl-N-(2,6-difluorophenyl)propanamide 3-(4-bromophenyl)sulfanyl-N-(2,6…

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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) 4.49 9.32 -9.99 1 2 0 29 372.234 5 ↓

Analogs

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Popular Name: N-(2,3-dimethyl-5-sulfamoyl-phenyl)-3-(2-fluorophenyl)sulfanyl-propanamide N-(2,3-dimethyl-5-sulfamoyl-phen…

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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) 3.01 4.86 -17.99 3 5 0 89 382.482 6 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)sulfanyl-N-(4-ethylsulfonylphenyl)-propanamide 3-(4-chlorophenyl)sulfanyl-N-(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) 3.37 -4.15 -16.73 1 4 0 63 383.922 7 ↓

Analogs

21014209
21014209

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Popular Name: N-(4-amino-2,6-dichloro-phenyl)-3-phenylsulfanyl-propanamide N-(4-amino-2,6-dichloro-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) 3.73 7.68 -11.64 3 3 0 55 341.263 5 ↓

Analogs

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Popular Name: N-(5-amino-2-methyl-phenyl)-3-(2-chlorophenyl)sulfanyl-propanamide N-(5-amino-2-methyl-phenyl)-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) 3.53 7.57 -11.7 3 3 0 55 320.845 5 ↓

Analogs

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Popular Name: N-(2-amino-4-chloro-phenyl)-3-(2-chlorophenyl)sulfanyl-propanamide N-(2-amino-4-chloro-phenyl)-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) 4.16 7.61 -12.94 3 3 0 55 341.263 5 ↓

Analogs

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Popular Name: N-(4-amino-2-methoxy-phenyl)-3-phenylsulfanyl-propanamide N-(4-amino-2-methoxy-phenyl)-3-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) 2.51 5.74 -11.67 3 4 0 64 302.399 6 ↓

Analogs

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Popular Name: N-(4-aminophenyl)-3-(2-chlorophenyl)sulfanyl-propanamide N-(4-aminophenyl)-3-(2-chlorophe…

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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) 3.15 6.74 -12.39 3 3 0 55 306.818 5 ↓

Analogs

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Popular Name: N-(3-aminophenyl)-3-(2-chlorophenyl)sulfanyl-propanamide N-(3-aminophenyl)-3-(2-chlorophe…

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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 6.76 -11.78 3 3 0 55 306.818 5 ↓

Analogs

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Popular Name: N-(2,5-diethoxyphenyl)-3-phenylsulfanyl-propanamide N-(2,5-diethoxyphenyl)-3-phenyls…

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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) 4.24 9.02 -10.7 1 4 0 48 345.464 9 ↓

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) 3.82 9.4 -10.08 1 6 0 74 389.473 9 ↓

Analogs

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Popular Name: N-ethyl-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]benzamide N-ethyl-3-[3-(4-fluorophenyl)sul…

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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) 3.15 7.65 -18.94 2 4 0 58 346.427 7 ↓

Analogs

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Popular Name: N-[3-(difluoromethoxy)-4-methoxy-phenyl]-3-(2-fluorophenyl)sulfanyl-propanamide N-[3-(difluoromethoxy)-4-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) 3.77 7.97 -14.51 1 4 0 48 371.38 8 ↓

Analogs

37037241
37037241

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Popular Name: N-(3-chloro-2-fluoro-phenyl)-3-phenylsulfanyl-propanamide N-(3-chloro-2-fluoro-phenyl)-3-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) 4.19 9.05 -8.41 1 2 0 29 309.793 5 ↓

Analogs

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Popular Name: 4-(3-anilino-3-oxo-propyl)sulfanylbenzoic 4-(3-anilino-3-oxo-propyl)sulfan…

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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) 3.36 8.98 -54.97 1 4 -1 69 300.359 6 ↓

Analogs

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Popular Name: N-(5-acetamido-2-fluoro-phenyl)-3-(2-fluorophenyl)sulfanyl-propanamide N-(5-acetamido-2-fluoro-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) 2.87 7.48 -15.11 2 4 0 58 350.39 6 ↓

Analogs

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Popular Name: N-methyl-N-phenyl-3-(p-tolylsulfanyl)propanamide N-methyl-N-phenyl-3-(p-tolylsulf…

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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) 3.47 10.87 -9.52 0 2 0 20 285.412 5 ↓

Analogs

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Popular Name: 2-[3-(3,4-difluorophenyl)sulfanylpropanoylamino]benzamide 2-[3-(3,4-difluorophenyl)sulfany…

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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) 2.47 5.81 -11.48 3 4 0 72 336.363 6 ↓

Analogs

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Popular Name: N-allyl-2-[3-(2-fluorophenyl)sulfanylpropanoylamino]benzamide N-allyl-2-[3-(2-fluorophenyl)sul…

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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) 3.35 8.71 -12.02 2 4 0 58 358.438 8 ↓

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) 4.46 9.25 -7.77 1 5 0 65 379.865 8 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)phenyl]propanamide 3-(4-chlorophenyl)sulfanyl-N-[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) 3.73 6.66 -50.79 1 5 -1 77 397.929 8 ↓
Mid Mid (pH 6-8) 3.73 6.57 -16.29 2 5 0 75 398.937 8 ↓

Analogs

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Popular Name: 3-(2-chlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)phenyl]propanamide 3-(2-chlorophenyl)sulfanyl-N-[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) 3.68 6.6 -51.23 1 5 -1 77 397.929 8 ↓
Mid Mid (pH 6-8) 3.68 6.52 -16.88 2 5 0 75 398.937 8 ↓

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) 4.82 11.56 -15.69 1 4 0 55 357.475 8 ↓

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) 4.01 10.82 -9.6 1 4 0 55 343.448 8 ↓

Analogs

39558386
39558386
39558391
39558391

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Popular Name: N-[3-[mesyl(methyl)amino]phenyl]-3-(p-tolylthio)propionamide N-[3-[mesyl(methyl)amino]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) 3.35 7.25 -17.28 1 5 0 66 378.519 7 ↓

Analogs

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Popular Name: 3-[3-(4-chlorophenyl)sulfanylpropanoylamino]-N-ethyl-benzamide 3-[3-(4-chlorophenyl)sulfanylpro…

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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) 3.67 8.11 -18.6 2 4 0 58 362.882 7 ↓

Analogs

8126455
8126455

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Popular Name: N-[4-(cyanomethyl)phenyl]-3-(2-fluorophenyl)sulfanyl-propanamide N-[4-(cyanomethyl)phenyl]-3-(2-f…

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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 9.69 -15.14 1 3 0 53 314.385 6 ↓

Analogs

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Popular Name: N-(3,4-difluorophenyl)-3-(3,4-difluorophenyl)sulfanyl-propanamide N-(3,4-difluorophenyl)-3-(3,4-di…

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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) 3.96 8.7 -10.59 1 2 0 29 329.318 5 ↓

Analogs

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Popular Name: 3-(2-chlorophenyl)sulfanyl-N-(2-methylsulfanylphenyl)propanamide 3-(2-chlorophenyl)sulfanyl-N-(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) 4.46 10.06 -8.43 1 2 0 29 337.897 6 ↓

Analogs

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Popular Name: N-[2-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfanyl-propanamide N-[2-(difluoromethoxy)phenyl]-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) 4.17 8.24 -10.15 1 3 0 38 341.354 7 ↓

Analogs

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Popular Name: 3-(4-fluorophenyl)sulfanyl-N-(2-propoxyphenyl)propanamide 3-(4-fluorophenyl)sulfanyl-N-(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) 4.50 9.69 -7.81 1 3 0 38 333.428 8 ↓

Parameters Provided:

ring.id = 3963
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 = 3963 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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