UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8880501
8880501

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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) 5.44 -0.4 -16.62 1 6 0 77 418.54 9 ↓

Analogs

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Popular Name: 2-(diethylamino)-N'-(4-fluorophenyl)thieno[2,3-d]thiazole-5-carbohydrazide 2-(diethylamino)-N'-(4-fluorophe…

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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 8.64 -10.25 2 5 0 57 364.471 6 ↓
Lo Low (pH 4.5-6) 4.16 9.04 -32.6 3 5 1 59 365.479 6 ↓

Analogs

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Popular Name: 2-(dimethylamino)-N-[(S)-phenyl(2-pyridyl)methyl]thieno[2,3-d]thiazole-5-carboxamide 2-(dimethylamino)-N-[(S)-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) 3.80 9.47 -12.63 1 5 0 58 394.525 5 ↓
Lo Low (pH 4.5-6) 3.80 9.89 -35.17 2 5 1 59 395.533 5 ↓

Analogs

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Popular Name: 2-(dimethylamino)-N-[(R)-phenyl(2-pyridyl)methyl]thieno[2,3-d]thiazole-5-carboxamide 2-(dimethylamino)-N-[(R)-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) 3.80 9.47 -12.59 1 5 0 58 394.525 5 ↓
Lo Low (pH 4.5-6) 3.80 9.68 -31.85 2 5 1 59 395.533 5 ↓

Analogs

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Popular Name: N-cyclopropyl-2-(dimethylamino)-N-(2-furylmethyl)thieno[2,3-d]thiazole-5-carboxamide N-cyclopropyl-2-(dimethylamino)-…

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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 8.46 -14.24 0 5 0 50 347.465 5 ↓
Lo Low (pH 4.5-6) 3.06 8.94 -32.12 1 5 1 51 348.473 5 ↓

Analogs

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Popular Name: 2-(dimethylamino)-N-[(3R)-2-oxoazepan-3-yl]thieno[2,3-d]thiazole-5-carboxamide 2-(dimethylamino)-N-[(3R)-2-oxoa…

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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) 1.79 4.51 -18.16 2 6 0 74 338.458 3 ↓
Lo Low (pH 4.5-6) 1.79 4.85 -42.24 3 6 1 76 339.466 3 ↓

Analogs

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Popular Name: 2-(dimethylamino)-N-[(3S)-2-oxoazepan-3-yl]thieno[2,3-d]thiazole-5-carboxamide 2-(dimethylamino)-N-[(3S)-2-oxoa…

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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) 1.79 3.72 -16.7 2 6 0 74 338.458 3 ↓
Lo Low (pH 4.5-6) 1.79 4.06 -35.49 3 6 1 76 339.466 3 ↓

Analogs

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Popular Name: (1-phenyltetrazol-5-yl)methyl (1-phenyltetrazol-5-yl)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) 3.54 10.96 -12.88 0 8 0 86 414.516 8 ↓
Lo Low (pH 4.5-6) 3.54 11.34 -34.82 1 8 1 87 415.524 8 ↓

Analogs

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Popular Name: 2-(diethylamino)-N-(1,3,4-thiadiazol-2-yl)thieno[2,3-d]thiazole-5-carboxamide 2-(diethylamino)-N-(1,3,4-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) 2.96 6.62 -16.47 1 6 0 71 339.471 5 ↓
Lo Low (pH 4.5-6) 2.96 7.02 -38.64 2 6 1 72 340.479 5 ↓

Analogs

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Popular Name: N-[(4-carbamoylphenyl)methyl]-2-(diethylamino)thieno[2,3-d]thiazole-5-carboxamide N-[(4-carbamoylphenyl)methyl]-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 5.87 -16.15 3 6 0 88 388.518 7 ↓
Lo Low (pH 4.5-6) 2.76 6.27 -36.55 4 6 1 90 389.526 7 ↓

Analogs

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Popular Name: [(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-(dimethylamino)thieno[2,3-d]thiazol-5-yl]methanone [(2R)-2-(2,4-dimethoxyphenyl)pyr…

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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 8.92 -15.33 0 6 0 55 417.556 5 ↓
Lo Low (pH 4.5-6) 4.06 9.32 -36.52 1 6 1 56 418.564 5 ↓

Analogs

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Popular Name: [(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[2-(dimethylamino)thieno[2,3-d]thiazol-5-yl]methanone [(2S)-2-(2,4-dimethoxyphenyl)pyr…

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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 8.84 -15.12 0 6 0 55 417.556 5 ↓
Lo Low (pH 4.5-6) 4.06 9.24 -36.19 1 6 1 56 418.564 5 ↓

Analogs

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Popular Name: 2-(dimethylamino)-N-[[3-(methylcarbamoyl)phenyl]methyl]thieno[2,3-d]thiazole-5-carboxamide 2-(dimethylamino)-N-[[3-(methylc…

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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 5.42 -17.83 2 6 0 74 374.491 5 ↓
Lo Low (pH 4.5-6) 2.36 5.85 -37.51 3 6 1 76 375.499 5 ↓

Analogs

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Popular Name: [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[2-(2-methoxyanilino)thieno[2,3-d]thiazol-5-yl]methanone [(2S,6R)-2,6-dimethylmorpholin-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) 4.50 7.95 -9.77 1 6 0 64 403.529 4 ↓

Analogs

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Popular Name: [(2S,6S)-2,6-dimethylmorpholin-4-yl]-[2-(2-methoxyanilino)thieno[2,3-d]thiazol-5-yl]methanone [(2S,6S)-2,6-dimethylmorpholin-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) 4.50 8.19 -9.43 1 6 0 64 403.529 4 ↓

Analogs

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Popular Name: [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[2-(2-methoxyanilino)thieno[2,3-d]thiazol-5-yl]methanone [(2R,6R)-2,6-dimethylmorpholin-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) 4.50 8.12 -9.61 1 6 0 64 403.529 4 ↓

Analogs

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Popular Name: 2-(diethylamino)-N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)thieno[2,3-d]thiazole-5-carboxamide 2-(diethylamino)-N-(2-methoxyeth…

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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) 3.70 8.07 -11.74 0 5 0 46 395.472 9 ↓
Lo Low (pH 4.5-6) 3.70 8.47 -32.74 1 5 1 47 396.48 9 ↓

Analogs

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Popular Name: (2-anilinothieno[2,3-d]thiazol-5-yl)-[4-(dimethylamino)-1-piperidyl]methanone (2-anilinothieno[2,3-d]thiazol-5…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.34 10.31 -47.41 2 5 1 50 387.554 4 ↓

Analogs

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Popular Name: 2-(dimethylamino)-N-(1-phenylcyclobutyl)thieno[2,3-d]thiazole-5-carboxamide 2-(dimethylamino)-N-(1-phenylcyc…

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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) 4.12 9.08 -11.9 1 4 0 45 357.504 4 ↓
Lo Low (pH 4.5-6) 4.12 9.55 -32.53 2 4 1 46 358.512 4 ↓

Analogs

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Popular Name: N-(4-amino-3,5-dichloro-phenyl)-2-(dimethylamino)thieno[2,3-d]thiazole-5-carboxamide N-(4-amino-3,5-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) 4.18 6 -10.23 3 5 0 71 387.317 3 ↓
Lo Low (pH 4.5-6) 4.18 6.46 -32.94 4 5 1 72 388.325 3 ↓

Analogs

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Popular Name: [2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl] [2-[[(1S,2R,3R)-2,3-dimethylcycl…

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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 9.48 -13.77 1 6 0 72 395.55 6 ↓
Lo Low (pH 4.5-6) 3.92 9.88 -32.9 2 6 1 73 396.558 6 ↓

Analogs

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Popular Name: [2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl] [2-[[(1S,2R,3S)-2,3-dimethylcycl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.92 10.27 -13.21 1 6 0 72 395.55 6 ↓
Lo Low (pH 4.5-6) 3.92 10.68 -32.43 2 6 1 73 396.558 6 ↓

Analogs

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Popular Name: [2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl] [2-[[(1R,2R,3R)-2,3-dimethylcycl…

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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 9.65 -13.84 1 6 0 72 395.55 6 ↓
Lo Low (pH 4.5-6) 3.92 10.05 -32.86 2 6 1 73 396.558 6 ↓

Analogs

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Popular Name: [2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl] [2-[[(1R,2R,3S)-2,3-dimethylcycl…

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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 9.87 -13.82 1 6 0 72 395.55 6 ↓
Lo Low (pH 4.5-6) 3.92 10.28 -32.96 2 6 1 73 396.558 6 ↓

Analogs

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Popular Name: N,N-bis(2-cyanoethyl)-2-(2-methylanilino)thieno[2,3-d]thiazole-5-carboxamide N,N-bis(2-cyanoethyl)-2-(2-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) 3.24 10.86 -19.75 1 6 0 93 395.513 7 ↓

Analogs

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Popular Name: 2-(dimethylamino)-N-(4-methoxybutyl)thieno[2,3-d]thiazole-5-carboxamide 2-(dimethylamino)-N-(4-methoxybu…

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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 4.72 -12.05 1 5 0 54 313.448 7 ↓
Lo Low (pH 4.5-6) 2.32 5.18 -33.34 2 5 1 56 314.456 7 ↓

Analogs

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Popular Name: [2-(dimethylamino)thieno[2,3-d]thiazol-5-yl]-thiomorpholino-methanone [2-(dimethylamino)thieno[2,3-d]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) 2.42 6.82 -10.31 0 4 0 36 313.473 2 ↓
Lo Low (pH 4.5-6) 2.42 7.25 -32.43 1 4 1 38 314.481 2 ↓

Analogs

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Popular Name: 2-(dimethylamino)-N-(2-methylsulfonylethyl)thieno[2,3-d]thiazole-5-carboxamide 2-(dimethylamino)-N-(2-methylsul…

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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) 1.19 1.72 -23.19 1 6 0 79 333.46 5 ↓
Lo Low (pH 4.5-6) 1.19 2.11 -45.71 2 6 1 81 334.468 5 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-2-(diethylamino)thieno[2,3-d]thiazole-5-carboxamide N-(cyclopropylmethyl)-2-(diethyl…

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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) 3.41 7.62 -9.64 1 4 0 45 309.46 6 ↓
Lo Low (pH 4.5-6) 3.41 8.02 -29.43 2 4 1 46 310.468 6 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-2-(dimethylamino)thieno[2,3-d]thiazole-5-carboxamide N-(cyclopropylmethyl)-2-(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) 2.66 5.71 -9.99 1 4 0 45 281.406 4 ↓
Lo Low (pH 4.5-6) 2.66 6.12 -30.96 2 4 1 46 282.414 4 ↓

Analogs

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Popular Name: 2-(dimethylamino)-N-(2-ethoxyethyl)thieno[2,3-d]thiazole-5-carboxamide 2-(dimethylamino)-N-(2-ethoxyeth…

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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) 2.15 4.27 -10.89 1 5 0 54 299.421 6 ↓
Lo Low (pH 4.5-6) 2.15 4.61 -31.08 2 5 1 56 300.429 6 ↓

Analogs

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Popular Name: 2-(dimethylamino)-N-(1,3,4-thiadiazol-2-yl)thieno[2,3-d]thiazole-5-carboxamide 2-(dimethylamino)-N-(1,3,4-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) 2.20 4.71 -16.9 1 6 0 71 311.417 3 ↓
Mid Mid (pH 6-8) 2.27 2.83 -51.59 0 6 -1 77 310.409 3 ↓
Lo Low (pH 4.5-6) 2.20 5.12 -40.22 2 6 1 72 312.425 3 ↓

Analogs

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Popular Name: 2-(dimethylamino)-N-(4-methylthiazol-2-yl)thieno[2,3-d]thiazole-5-carboxamide 2-(dimethylamino)-N-(4-methylthi…

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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 5.8 -10.9 1 5 0 58 324.456 3 ↓
Hi High (pH 8-9.5) 2.83 4.26 -47.33 0 5 -1 64 323.448 3 ↓
Lo Low (pH 4.5-6) 2.76 6.27 -33.31 2 5 1 59 325.464 3 ↓

Analogs

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Popular Name: 2-(dimethylamino)-N-(5-methylthiazol-2-yl)thieno[2,3-d]thiazole-5-carboxamide 2-(dimethylamino)-N-(5-methylthi…

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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 6.36 -15.29 1 5 0 58 324.456 3 ↓
Hi High (pH 8-9.5) 2.83 4.8 -51.35 0 5 -1 64 323.448 3 ↓
Lo Low (pH 4.5-6) 2.76 6.82 -37.25 2 5 1 59 325.464 3 ↓

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) 2.03 5.17 -10.63 1 6 0 72 313.404 6 ↓
Lo Low (pH 4.5-6) 2.03 5.56 -30.53 2 6 1 73 314.412 6 ↓

Analogs

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Popular Name: 2-(dimethylamino)-N-(2-methoxyethyl)-N-methyl-thieno[2,3-d]thiazole-5-carboxamide 2-(dimethylamino)-N-(2-methoxyet…

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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) 2.02 5.01 -11.35 0 5 0 46 299.421 5 ↓
Lo Low (pH 4.5-6) 2.02 5.41 -30.63 1 5 1 47 300.429 5 ↓

Analogs

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Popular Name: 2-(dimethylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thieno[2,3-d]thiazole-5-carboxamide 2-(dimethylamino)-N-(5-methyl-1,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.92 5.5 -16.75 1 6 0 71 325.444 3 ↓
Mid Mid (pH 6-8) 1.99 3.62 -53.7 0 6 -1 77 324.436 3 ↓
Lo Low (pH 4.5-6) 1.92 5.86 -40.13 2 6 1 72 326.452 3 ↓

Analogs

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Popular Name: 1-[[2-(dimethylamino)thieno[2,3-d]thiazole-5-carbonyl]amino]-3-methyl-urea 1-[[2-(dimethylamino)thieno[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) 1.20 1.65 -14.39 3 7 0 86 299.381 3 ↓
Lo Low (pH 4.5-6) 1.20 2.09 -39.6 4 7 1 88 300.389 3 ↓

Analogs

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Popular Name: N-(cyanomethyl)-2-(dimethylamino)-N-propyl-thieno[2,3-d]thiazole-5-carboxamide N-(cyanomethyl)-2-(dimethylamino…

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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) 2.70 7.1 -15.14 0 5 0 60 308.432 5 ↓
Lo Low (pH 4.5-6) 2.70 7.49 -34.21 1 5 1 61 309.44 5 ↓

Analogs

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Popular Name: N-(4-amino-4-oxo-butyl)-2-(dimethylamino)thieno[2,3-d]thiazole-5-carboxamide N-(4-amino-4-oxo-butyl)-2-(dimet…

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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) 1.06 1.77 -15.84 3 6 0 88 312.42 6 ↓
Lo Low (pH 4.5-6) 1.06 2.17 -35.49 4 6 1 90 313.428 6 ↓

Analogs

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Popular Name: N-methyl-2-(2-methylanilino)thieno[2,3-d]thiazole-5-carboxamide N-methyl-2-(2-methylanilino)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) 4.08 6.62 -9.95 2 4 0 54 303.412 3 ↓

Analogs

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Popular Name: 2-(dimethylamino)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]thieno[2,3-d]thiazole-5-carboxamide 2-(dimethylamino)-N-[[(3S)-tetra…

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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) 2.28 4.33 -11.96 1 5 0 54 311.432 4 ↓
Lo Low (pH 4.5-6) 2.28 4.74 -33.22 2 5 1 56 312.44 4 ↓

Analogs

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Popular Name: 2-(dimethylamino)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]thieno[2,3-d]thiazole-5-carboxamide 2-(dimethylamino)-N-[[(3R)-tetra…

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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) 2.28 4.32 -11.62 1 5 0 54 311.432 4 ↓
Lo Low (pH 4.5-6) 2.28 4.74 -32.87 2 5 1 56 312.44 4 ↓

Analogs

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Popular Name: 2-(dimethylamino)-N-(3,3-dimethylbutyl)thieno[2,3-d]thiazole-5-carboxamide 2-(dimethylamino)-N-(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) 3.76 6.55 -9.89 1 4 0 45 311.476 5 ↓
Lo Low (pH 4.5-6) 3.76 6.99 -31.04 2 4 1 46 312.484 5 ↓

Analogs

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Popular Name: N-(2-amino-2-oxo-ethyl)-2-(dimethylamino)-N-methyl-thieno[2,3-d]thiazole-5-carboxamide N-(2-amino-2-oxo-ethyl)-2-(dimet…

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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) 0.77 2.28 -19.08 2 6 0 80 298.393 4 ↓
Lo Low (pH 4.5-6) 0.77 2.67 -37.32 3 6 1 81 299.401 4 ↓

Analogs

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Popular Name: N-cyclopropyl-2-(dimethylamino)-N-methyl-thieno[2,3-d]thiazole-5-carboxamide N-cyclopropyl-2-(dimethylamino)-…

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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) 2.40 6.27 -11.73 0 4 0 36 281.406 3 ↓
Lo Low (pH 4.5-6) 2.40 6.67 -31.15 1 4 1 38 282.414 3 ↓

Analogs

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Popular Name: N-(2-bromoallyl)-2-(diethylamino)thieno[2,3-d]thiazole-5-carboxamide N-(2-bromoallyl)-2-(diethylamino…

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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) 3.65 7.25 -9.71 1 4 0 45 374.329 6 ↓
Lo Low (pH 4.5-6) 3.65 7.64 -28.7 2 4 1 46 375.337 6 ↓

Analogs

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Popular Name: N-(2-bromoallyl)-2-(dimethylamino)thieno[2,3-d]thiazole-5-carboxamide N-(2-bromoallyl)-2-(dimethylamin…

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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 5.34 -10.03 1 4 0 45 346.275 4 ↓
Lo Low (pH 4.5-6) 2.90 5.74 -30.26 2 4 1 46 347.283 4 ↓

Analogs

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Popular Name: 2-(dimethylamino)-N-(3-methoxypropyl)-N-methyl-thieno[2,3-d]thiazole-5-carboxamide 2-(dimethylamino)-N-(3-methoxypr…

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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) 2.29 5.63 -13.94 0 5 0 46 313.448 6 ↓
Lo Low (pH 4.5-6) 2.29 6.08 -33.53 1 5 1 47 314.456 6 ↓

Analogs

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Popular Name: 2-(dimethylamino)-N-ethoxy-thieno[2,3-d]thiazole-5-carboxamide 2-(dimethylamino)-N-ethoxy-thien…

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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) 2.12 5.25 -12.55 1 5 0 54 271.367 4 ↓
Hi High (pH 8-9.5) 2.19 3.74 -54.46 0 5 -1 61 270.359 4 ↓
Lo Low (pH 4.5-6) 2.12 5.69 -35 2 5 1 56 272.375 4 ↓

Parameters Provided:

ring.id = 3191
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 = 3191 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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