UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

7151259
7151259

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Popular Name: 2-[[4-(4-fluorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethyl-propanamide 2-[[4-(4-fluorophenyl)-5-thioxo-…

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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) 1.82 8 -10.72 0 4 0 38 343.474 4 ↓

Analogs

6543580
6543580

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Popular Name: 3-(4-fluorophenyl)-5-[3-(4-methoxyphenoxy)propylsulfanyl]-1,3,4-thiadiazole-2-thione 3-(4-fluorophenyl)-5-[3-(4-metho…

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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) 4.56 10.59 -10.63 0 4 0 36 408.545 8 ↓

Analogs

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Popular Name: 2-[2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]isoindoline-1,3-dione 2-[2-[[4-(4-chlorophenyl)-5-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) 4.27 10.81 -12.28 0 5 0 57 433.967 5 ↓

Analogs

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Popular Name: 4-phenyl-3H-1,3,4-thiadiazol-4-ium-2-thione 4-phenyl-3H-1,3,4-thiadiazol-4-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) -1.65 -1.65 -38.09 1 2 1 20 195.292 1 ↓

Analogs

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Popular Name: N-(8-chloro-2,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-9-yl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2- N-(8-chloro-2,5-dioxabicyclo[4.4…

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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) 3.30 -3.11 -15.77 1 6 0 65 451.982 5 ↓

Analogs

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Popular Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide N-(5-chloro-2,4-dimethoxy-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) 3.83 -2.2 -16.65 1 6 0 65 453.998 7 ↓

Analogs

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Popular Name: N-(4-bromo-2-chloro-phenyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide N-(4-bromo-2-chloro-phenyl)-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) 4.60 -2.99 -12.43 1 4 0 47 472.842 5 ↓

Analogs

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Popular Name: N-(8-bromo-2,5-dioxabicyclo[4.4.0]deca-6,8,10-trien-9-yl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-y N-(8-bromo-2,5-dioxabicyclo[4.4.…

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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) 3.43 -3.66 -15.6 1 6 0 65 496.433 5 ↓

Analogs

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Popular Name: N-(3-isopropylphenyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide N-(3-isopropylphenyl)-2-[(4-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) 4.68 -1.45 -14.5 1 4 0 47 401.582 6 ↓

Analogs

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Popular Name: N-(2,5-diethoxyphenyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide N-(2,5-diethoxyphenyl)-2-[(4-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) 3.98 -2.09 -15.72 1 6 0 65 447.607 9 ↓

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) 4.15 -0.87 -18.98 1 6 0 73 457.602 9 ↓

Analogs

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Popular Name: N-(4-chloro-3-methyl-phenyl)-N-(2-cyanoethyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]a N-(4-chloro-3-methyl-phenyl)-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) 3.94 0.89 -20.59 0 5 0 62 461.037 7 ↓

Analogs

12009019
12009019
6543655
6543655

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Popular Name: 1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]ethan 1-(2-methyl-3,4-dihydro-2H-quino…

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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) 4.27 -1.3 -14.44 0 4 0 38 413.593 4 ↓

Analogs

6543655
6543655
12009017
12009017

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Popular Name: 1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]ethan 1-(2-methyl-3,4-dihydro-2H-quino…

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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) 4.27 -1.33 -14.58 0 4 0 38 413.593 4 ↓

Analogs

12009083
12009083

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Popular Name: N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide N-[1-(4-fluorophenyl)ethyl]-N-me…

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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) 3.86 -0.13 -15.3 0 4 0 38 419.572 6 ↓

Analogs

12009079
12009079

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Popular Name: N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide N-[1-(4-fluorophenyl)ethyl]-N-me…

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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) 3.86 0.7 -14.61 0 4 0 38 419.572 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) 3.79 -1.86 -19.35 1 6 0 73 451.62 8 ↓

Analogs

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Popular Name: N-(3-chloro-2,6-diethyl-phenyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide N-(3-chloro-2,6-diethyl-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) 4.61 -1.58 -14.76 1 4 0 47 450.054 7 ↓

Analogs

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Popular Name: N-(2,5-dimethylpyrazol-3-yl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide N-(2,5-dimethylpyrazol-3-yl)-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) 1.98 -1.92 -18.7 1 6 0 65 377.52 5 ↓

Analogs

12009284
12009284

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Popular Name: 2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(phenylcarbamoyl)propanamide 2-[[4-(4-chlorophenyl)-5-thioxo-…

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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 -3.19 -21.3 2 6 0 76 450.998 5 ↓

Analogs

12009282
12009282

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Popular Name: 2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(phenylcarbamoyl)propanamide 2-[[4-(4-chlorophenyl)-5-thioxo-…

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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 -3.22 -21.09 2 6 0 76 450.998 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) 3.52 -2.01 -12.66 1 6 0 73 458.011 7 ↓

Analogs

12009365
12009365

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Popular Name: 2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[1-(4-fluorophenyl)-2-methyl-propy 2-[[4-(4-chlorophenyl)-5-thioxo-…

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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) 5.04 -1.42 -12.62 1 4 0 47 468.044 7 ↓

Analogs

12009361
12009361

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Popular Name: 2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[1-(4-fluorophenyl)-2-methyl-propy 2-[[4-(4-chlorophenyl)-5-thioxo-…

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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) 5.04 -1.42 -12.63 1 4 0 47 468.044 7 ↓

Analogs

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Popular Name: 2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methylsulfanylphenyl)-acetamide 2-[[4-(4-chlorophenyl)-5-thioxo-…

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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) 4.30 -2.77 -14.54 1 4 0 47 440.04 6 ↓

Analogs

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Popular Name: 2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-(4-nitrophenyl)-acetamide 2-[[4-(4-chlorophenyl)-5-thioxo-…

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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 -0.28 -17.55 0 7 0 84 452.97 6 ↓

Analogs

12009497
12009497
22149578
22149578
22149583
22149583

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Popular Name: 2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[1-(4-fluorophenyl)ethyl]-N-methyl 2-[[4-(4-chlorophenyl)-5-thioxo-…

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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) 4.53 -0.28 -13.7 0 4 0 38 454.017 6 ↓

Analogs

22149578
22149578
22149583
22149583
12009495
12009495

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Popular Name: 2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[1-(4-fluorophenyl)ethyl]-N-methyl 2-[[4-(4-chlorophenyl)-5-thioxo-…

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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) 4.53 0.56 -13 0 4 0 38 454.017 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) 4.47 -2.01 -17.94 1 6 0 73 486.065 8 ↓

Analogs

20892002
20892002
4933617
4933617
6543628
6543628
6543631
6543631

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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) 3.29 8.63 -8.78 0 4 0 44 346.886 5 ↓

Analogs

4933617
4933617
6543628
6543628
6543631
6543631

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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) 3.29 8.62 -8.88 0 4 0 44 346.886 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) 2.90 9.69 -21.4 1 7 0 86 452.608 9 ↓
Hi High (pH 8-9.5) 3.08 8.61 -43.71 0 7 -1 92 451.6 9 ↓

Analogs

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Popular Name: 3-methyl-N-[4-[2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]phenyl]butanamide 3-methyl-N-[4-[2-[(4-phenyl-5-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) 4.36 11.57 -21.21 1 5 0 64 443.619 8 ↓

Analogs

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Popular Name: N-phenyl-2-[[2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide N-phenyl-2-[[2-[(4-phenyl-5-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) 4.03 11.39 -17.64 2 6 0 76 478.624 7 ↓

Analogs

20895984
20895984

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Popular Name: (2R)-1-(4-bromophenyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one (2R)-1-(4-bromophenyl)-2-[(4-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) 4.70 11.45 -11.69 0 3 0 35 437.409 5 ↓

Analogs

20895981
20895981

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Popular Name: (2S)-1-(4-bromophenyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one (2S)-1-(4-bromophenyl)-2-[(4-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) 4.70 11.45 -11.68 0 3 0 35 437.409 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) 3.58 10.2 -19.83 1 7 0 86 487.053 9 ↓
Hi High (pH 8-9.5) 3.76 9.12 -40.84 0 7 -1 92 486.045 9 ↓

Analogs

20895996
20895996
16766682
16766682
6543349
6543349
6543350
6543350
6543370
6543370

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Popular Name: (2R)-N-benzyl-2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (2R)-N-benzyl-2-[[4-(4-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) 3.93 9.93 -12.06 1 4 0 47 422 6 ↓

Analogs

16766682
16766682
6543349
6543349
6543350
6543350
6543370
6543370

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Popular Name: (2S)-N-benzyl-2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (2S)-N-benzyl-2-[[4-(4-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) 3.93 9.92 -12.09 1 4 0 47 422 6 ↓

Analogs

20896002
20896002
16766624
16766624
16766626
16766626

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Popular Name: (2R)-2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin- (2R)-2-[[4-(4-chlorophenyl)-5-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) 3.74 8.97 -19 1 6 0 65 466.009 5 ↓

Analogs

16766624
16766624
16766626
16766626
20895999
20895999

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Popular Name: (2S)-2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin- (2S)-2-[[4-(4-chlorophenyl)-5-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) 3.74 8.95 -16.79 1 6 0 65 466.009 5 ↓

Analogs

20896008
20896008
36772903
36772903
36772904
36772904

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Popular Name: (2R)-2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,5-dichlorophenyl)propanami (2R)-2-[[4-(4-chlorophenyl)-5-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) 5.51 10.98 -12.15 1 4 0 47 476.863 5 ↓

Analogs

36772903
36772903
36772904
36772904
20896005
20896005

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Popular Name: (2S)-2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,5-dichlorophenyl)propanami (2S)-2-[[4-(4-chlorophenyl)-5-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) 5.51 10.95 -12.06 1 4 0 47 476.863 5 ↓

Analogs

20896014
20896014
21128479
21128479
21128482
21128482
6543489
6543489
6543492
6543492

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Popular Name: (2R)-2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenyl-propanamide (2R)-2-[[4-(4-chlorophenyl)-5-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) 4.23 10.36 -11.05 1 4 0 47 407.973 5 ↓

Analogs

21128479
21128479
21128482
21128482
6543489
6543489
6543492
6543492
20896011
20896011

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Popular Name: (2S)-2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenyl-propanamide (2S)-2-[[4-(4-chlorophenyl)-5-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) 4.23 10.36 -11.3 1 4 0 47 407.973 5 ↓

Analogs

20896020
20896020
6543672
6543672

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Popular Name: (2R)-2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-furylmethyl)propanamide (2R)-2-[[4-(4-chlorophenyl)-5-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) 3.19 8.06 -12.7 1 5 0 60 411.961 6 ↓

Analogs

6543672
6543672
20896017
20896017

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Popular Name: (2S)-2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-furylmethyl)propanamide (2S)-2-[[4-(4-chlorophenyl)-5-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) 3.19 8.04 -12.93 1 5 0 60 411.961 6 ↓

Analogs

6543458
6543458

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Popular Name: 4-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one 4-[[4-(4-chlorophenyl)-5-thioxo-…

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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) 5.46 13.87 -15.13 0 4 0 48 447.006 4 ↓

Analogs

20896029
20896029
6543512
6543512
6543513
6543513

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Popular Name: (2R)-2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-phenyl-propanamide (2R)-2-[[4-(4-chlorophenyl)-5-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) 4.47 11.47 -12.27 0 4 0 38 422 5 ↓

Analogs

6543512
6543512
6543513
6543513
20896026
20896026

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-phenyl-propanamide (2S)-2-[[4-(4-chlorophenyl)-5-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) 4.47 11.4 -12.32 0 4 0 38 422 5 ↓

Parameters Provided:

ring.id = 5147
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 = 5147 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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