UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide 4-methyl-N-[4-nitro-3-(trifluoro…

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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) 2.66 5.06 -14.04 1 7 0 101 332.263 4 ↓

Analogs

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Popular Name: N-(4-butylphenyl)-4-ethyl-thiadiazole-5-carboxamide N-(4-butylphenyl)-4-ethyl-thiadi…

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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) 4.32 7.38 -8.28 1 4 0 55 289.404 6 ↓

Analogs

8060719
8060719
7946768
7946768

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Popular Name: 4-ethyl-N-(4-isopropylphenyl)thiadiazole-5-carboxamide 4-ethyl-N-(4-isopropylphenyl)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) 3.97 6.33 -8.28 1 4 0 55 275.377 4 ↓

Analogs

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Popular Name: N-(3,5-dimethoxyphenyl)-4-ethyl-thiadiazole-5-carboxamide N-(3,5-dimethoxyphenyl)-4-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) 2.50 3.04 -11.15 1 6 0 73 293.348 5 ↓

Analogs

31492704
31492704
8060317
8060317

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Popular Name: N-(3,5-dimethylphenyl)-4-ethyl-thiadiazole-5-carboxamide N-(3,5-dimethylphenyl)-4-ethyl-t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.28 5.72 -8.54 1 4 0 55 261.35 3 ↓

Analogs

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Popular Name: 4-ethyl-N-(4-propylphenyl)thiadiazole-5-carboxamide 4-ethyl-N-(4-propylphenyl)thiadi…

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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 6.6 -8.34 1 4 0 55 275.377 5 ↓

Analogs

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Popular Name: 4-ethyl-N-(4-methylsulfanylphenyl)thiadiazole-5-carboxamide 4-ethyl-N-(4-methylsulfanylpheny…

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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) 2.89 5.44 -9.04 1 4 0 55 279.39 4 ↓

Analogs

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Popular Name: 4-ethyl-N-(3-fluoro-4-methyl-phenyl)thiadiazole-5-carboxamide 4-ethyl-N-(3-fluoro-4-methyl-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) 2.99 5.12 -9.52 1 4 0 55 265.313 3 ↓

Analogs

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Popular Name: 4-ethyl-N-(4-pentylphenyl)thiadiazole-5-carboxamide 4-ethyl-N-(4-pentylphenyl)thiadi…

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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 8.16 -8.28 1 4 0 55 303.431 7 ↓

Analogs

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Popular Name: N-(2,4-dinitrophenyl)-4-methyl-thiadiazole-5-carboxamide N-(2,4-dinitrophenyl)-4-methyl-t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.73 5.36 -8.93 1 10 0 147 309.263 4 ↓
Hi High (pH 8-9.5) 1.80 4.57 -24.68 0 10 -1 153 308.255 4 ↓

Analogs

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Popular Name: N-(2,6-dibromo-4-nitro-phenyl)-4-methyl-thiadiazole-5-carboxamide N-(2,6-dibromo-4-nitro-phenyl)-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) 3.31 6.03 -8.89 1 7 0 101 422.058 3 ↓
Hi High (pH 8-9.5) 3.38 4.94 -24.52 0 7 -1 107 421.05 3 ↓

Analogs

7946768
7946768

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Popular Name: 4-ethyl-N-(4-ethylphenyl)thiadiazole-5-carboxamide 4-ethyl-N-(4-ethylphenyl)thiadia…

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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 5.83 -8.38 1 4 0 55 261.35 4 ↓

Analogs

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Popular Name: 2-[(4-methylthiadiazole-5-carbonyl)amino]-5-nitro-benzoic 2-[(4-methylthiadiazole-5-carbon…

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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) 1.86 5.31 -37.57 1 9 -1 141 307.267 4 ↓

Analogs

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Popular Name: 5-nitro-2-(thiadiazole-5-carbonylamino)benzoic 5-nitro-2-(thiadiazole-5-carbony…

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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) 1.64 4.67 -37.09 1 9 -1 141 293.24 4 ↓

Analogs

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Popular Name: 2-[(4-methylthiadiazole-5-carbonyl)amino]-4-nitro-benzoic 2-[(4-methylthiadiazole-5-carbon…

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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) 1.86 5.33 -33.89 1 9 -1 141 307.267 4 ↓

Analogs

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Popular Name: 4-nitro-2-(thiadiazole-5-carbonylamino)benzoic 4-nitro-2-(thiadiazole-5-carbony…

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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) 1.64 4.7 -34.33 1 9 -1 141 293.24 4 ↓

Analogs

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Popular Name: 5-iodo-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic 5-iodo-2-[(4-methylthiadiazole-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) 2.98 5.71 -38.65 1 6 -1 95 388.166 3 ↓

Analogs

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Popular Name: 5-iodo-2-(thiadiazole-5-carbonylamino)benzoic 5-iodo-2-(thiadiazole-5-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) 2.76 5.07 -38.25 1 6 -1 95 374.139 3 ↓

Analogs

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Popular Name: 3,5-dibromo-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic 3,5-dibromo-2-[(4-methylthiadiaz…

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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) 3.45 5.93 -37.38 1 6 -1 95 420.062 3 ↓

Analogs

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Popular Name: 3,5-dibromo-2-(thiadiazole-5-carbonylamino)benzoic 3,5-dibromo-2-(thiadiazole-5-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) 3.23 5.24 -37.19 1 6 -1 95 406.035 3 ↓

Analogs

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Popular Name: 3-bromo-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic 3-bromo-2-[(4-methylthiadiazole-…

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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) 2.69 5.33 -41.71 1 6 -1 95 341.166 3 ↓

Analogs

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Popular Name: 3-bromo-2-(thiadiazole-5-carbonylamino)benzoic 3-bromo-2-(thiadiazole-5-carbony…

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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) 2.46 4.7 -41.21 1 6 -1 95 327.139 3 ↓

Analogs

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Popular Name: N-[3-(2-aminoethoxy)phenyl]-4-methyl-thiadiazole-5-carboxamide N-[3-(2-aminoethoxy)phenyl]-4-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) 0.72 1.4 -47.54 4 6 1 92 279.345 5 ↓
Hi High (pH 8-9.5) 0.72 0.96 -10.8 3 6 0 90 278.337 5 ↓

Analogs

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Popular Name: N-[3-(2-aminoethoxy)phenyl]thiadiazole-5-carboxamide N-[3-(2-aminoethoxy)phenyl]thiad…

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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) 0.50 0.8 -47.28 4 6 1 92 265.318 5 ↓
Hi High (pH 8-9.5) 0.50 0.36 -11.82 3 6 0 90 264.31 5 ↓

Analogs

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Popular Name: N-(5-bromo-2-chloro-phenyl)thiadiazole-5-carboxamide N-(5-bromo-2-chloro-phenyl)thiad…

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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) 3.08 4.33 -6.04 1 4 0 55 318.583 2 ↓

Analogs

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Popular Name: 3-fluoro-4-[(4-methylthiadiazole-5-carbonyl)amino]benzoic 3-fluoro-4-[(4-methylthiadiazole…

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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) 1.88 4.35 -44.71 1 6 -1 95 280.26 3 ↓

Analogs

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Popular Name: 3-fluoro-4-(thiadiazole-5-carbonylamino)benzoic 3-fluoro-4-(thiadiazole-5-carbon…

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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) 1.66 3.76 -45.46 1 6 -1 95 266.233 3 ↓

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-4-ethyl-N-phenyl-thiadiazole-5-carboxamide N-(2-dimethylaminoethyl)-4-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) 2.73 7.38 -48.4 1 5 1 51 305.427 6 ↓
Hi High (pH 8-9.5) 2.73 4.54 -6.77 0 5 0 49 304.419 6 ↓

Analogs

26390466
26390466

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Popular Name: 4-isopropyl-N-[4-(pentanoylamino)phenyl]thiadiazole-5-carboxamide 4-isopropyl-N-[4-(pentanoylamino…

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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 6.24 -14.68 2 6 0 84 346.456 7 ↓

Analogs

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Popular Name: N-[4-[ethyl(isopropyl)amino]phenyl]thiadiazole-5-carboxamide N-[4-[ethyl(isopropyl)amino]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) 2.81 5.91 -55.68 2 5 0 59 291.4 5 ↓
Mid Mid (pH 6-8) 2.81 5.57 -7.86 1 5 0 58 290.392 5 ↓

Analogs

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Popular Name: N-(5-chloro-2-hydroxy-phenyl)thiadiazole-5-carboxamide N-(5-chloro-2-hydroxy-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) 2.05 0.85 -8.4 2 5 0 75 255.686 2 ↓
Hi High (pH 8-9.5) 2.05 1.62 -34.2 1 5 -1 78 254.678 2 ↓

Analogs

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Popular Name: N-(4-amino-3-methoxy-phenyl)-4-methyl-thiadiazole-5-carboxamide N-(4-amino-3-methoxy-phenyl)-4-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) 1.35 0.98 -8.03 3 6 0 90 264.31 3 ↓

Analogs

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Popular Name: N-(4-amino-3-methoxy-phenyl)thiadiazole-5-carboxamide N-(4-amino-3-methoxy-phenyl)thia…

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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) 1.13 0.38 -8.73 3 6 0 90 250.283 3 ↓

Analogs

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Popular Name: N-(3-acetamido-4-methyl-phenyl)thiadiazole-5-carboxamide N-(3-acetamido-4-methyl-phenyl)t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.25 2.87 -11.72 2 6 0 84 276.321 3 ↓

Analogs

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Popular Name: N-[2-(2-amino-2-oxo-ethyl)phenyl]thiadiazole-5-carboxamide N-[2-(2-amino-2-oxo-ethyl)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) 0.52 0.76 -13.23 3 6 0 98 262.294 4 ↓

Analogs

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Popular Name: 4-ethyl-N-(3-fluoro-4-methoxy-phenyl)thiadiazole-5-carboxamide 4-ethyl-N-(3-fluoro-4-methoxy-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) 2.60 3.76 -11.42 1 5 0 64 281.312 4 ↓

Analogs

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Popular Name: N-(3-fluoro-4-methoxy-phenyl)thiadiazole-5-carboxamide N-(3-fluoro-4-methoxy-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) 1.81 2.44 -12.59 1 5 0 64 253.258 3 ↓

Analogs

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Popular Name: N-(4-chloro-3-fluoro-phenyl)-4-ethyl-thiadiazole-5-carboxamide N-(4-chloro-3-fluoro-phenyl)-4-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) 3.22 4.98 -9.11 1 4 0 55 285.731 3 ↓

Analogs

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Popular Name: N-(4-chloro-3-fluoro-phenyl)thiadiazole-5-carboxamide N-(4-chloro-3-fluoro-phenyl)thia…

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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) 2.43 3.67 -10.25 1 4 0 55 257.677 2 ↓

Analogs

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Popular Name: N-(2-propylphenyl)thiadiazole-5-carboxamide N-(2-propylphenyl)thiadiazole-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) 2.92 5.53 -6.87 1 4 0 55 247.323 4 ↓

Analogs

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Popular Name: N-[2-[2-(methylamino)-2-oxo-ethyl]phenyl]thiadiazole-5-carboxamide N-[2-[2-(methylamino)-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) 0.90 2.24 -12.98 2 6 0 84 276.321 4 ↓

Analogs

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Popular Name: N-[3-[[acetyl(methyl)amino]methyl]phenyl]thiadiazole-5-carboxamide N-[3-[[acetyl(methyl)amino]methy…

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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) 0.80 4.21 -14.43 1 6 0 75 290.348 4 ↓

Analogs

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Popular Name: N-[2-(isopropylcarbamoyl)phenyl]thiadiazole-5-carboxamide N-[2-(isopropylcarbamoyl)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) 1.48 3.48 -9.87 2 6 0 84 290.348 4 ↓

Analogs

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Popular Name: N-[2-methyl-3-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide N-[2-methyl-3-(methylcarbamoyl)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) 1.21 2.23 -10.89 2 6 0 84 276.321 3 ↓

Analogs

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Popular Name: N-[2-(diethylaminomethyl)phenyl]thiadiazole-5-carboxamide N-[2-(diethylaminomethyl)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) 2.17 6.6 -42.48 2 5 1 59 291.4 6 ↓

Analogs

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Popular Name: N-(5-acetamido-2-methyl-phenyl)thiadiazole-5-carboxamide N-(5-acetamido-2-methyl-phenyl)t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.25 2.87 -12.31 2 6 0 84 276.321 3 ↓

Analogs

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Popular Name: N-[2-(dimethylcarbamoylamino)phenyl]thiadiazole-5-carboxamide N-[2-(dimethylcarbamoylamino)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) 0.98 3.17 -12.57 2 7 0 87 291.336 3 ↓

Analogs

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Popular Name: N-[2-methyl-4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide N-[2-methyl-4-(methylcarbamoyl)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) 1.23 2.27 -12.43 2 6 0 84 276.321 3 ↓

Analogs

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Popular Name: N-(2-isopropoxyphenyl)thiadiazole-5-carboxamide N-(2-isopropoxyphenyl)thiadiazol…

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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) 2.41 4.14 -7.16 1 5 0 64 263.322 4 ↓

Analogs

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Popular Name: N-[2-(3-amino-3-oxo-propoxy)phenyl]thiadiazole-5-carboxamide N-[2-(3-amino-3-oxo-propoxy)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) 0.67 0.32 -12.57 3 7 0 107 292.32 6 ↓

Parameters Provided:

ring.id = 78891
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 = 78891 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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