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Analogs

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Popular Name: 5-methyl-N-(1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide 5-methyl-N-(1,3,4-thiadiazol-2-y…

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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 4.77 -19.9 2 5 0 71 258.306 2 ↓
Mid Mid (pH 6-8) 2.50 3.54 -44.61 1 5 -1 77 257.298 2 ↓

Analogs

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Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methyl-1H-indole-2-carboxamide N-(5-butyl-1,3,4-thiadiazol-2-yl…

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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) 3.78 7.84 -18.76 2 5 0 71 314.414 5 ↓
Mid Mid (pH 6-8) 3.85 6.67 -45.73 1 5 -1 77 313.406 5 ↓

Analogs

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Popular Name: 5-fluoro-N-(1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide 5-fluoro-N-(1,3,4-thiadiazol-2-y…

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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) 1.17 4.18 -21.19 2 5 0 71 262.269 2 ↓
Mid Mid (pH 6-8) 1.24 2.94 -42.02 1 5 -1 77 261.261 2 ↓

Analogs

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Popular Name: 5-bromo-N-(1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide 5-bromo-N-(1,3,4-thiadiazol-2-yl…

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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) 2.79 4.73 -20.11 2 5 0 71 323.175 2 ↓
Mid Mid (pH 6-8) 2.86 3.5 -41.48 1 5 -1 77 322.167 2 ↓

Analogs

36723746
36723746

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Popular Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-fluoro-1H-indole-2-carboxamide N-(5-butyl-1,3,4-thiadiazol-2-yl…

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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 7.25 -19.88 2 5 0 71 318.377 5 ↓
Mid Mid (pH 6-8) 2.59 6.08 -42.83 1 5 -1 77 317.369 5 ↓

Analogs

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Popular Name: 5-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide 5-bromo-N-(5-butyl-1,3,4-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) 4.14 7.81 -18.83 2 5 0 71 379.283 5 ↓
Mid Mid (pH 6-8) 4.21 6.64 -42.37 1 5 -1 77 378.275 5 ↓

Analogs

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Popular Name: N-(1,3,4-thiadiazol-2-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide N-(1,3,4-thiadiazol-2-yl)-6-(tri…

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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) 2.95 3.91 -14.82 2 6 0 80 328.275 4 ↓

Analogs

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Popular Name: 4,5-dichloro-N-(1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide 4,5-dichloro-N-(1,3,4-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) 3.27 5.07 -17.85 2 5 0 71 313.169 2 ↓
Hi High (pH 8-9.5) 3.33 3.14 -43.32 1 5 -1 77 312.161 2 ↓

Analogs

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Popular Name: 3-chloro-N-(1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide 3-chloro-N-(1,3,4-thiadiazol-2-y…

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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) 2.61 4.64 -17.09 2 5 0 71 278.724 2 ↓
Hi High (pH 8-9.5) 2.68 3.17 -46.56 1 5 -1 77 277.716 2 ↓

Analogs

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Popular Name: 5-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide 5-bromo-3-chloro-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) 3.40 5.26 -17.17 2 5 0 71 357.62 2 ↓
Hi High (pH 8-9.5) 3.47 3.79 -43.03 1 5 -1 77 356.612 2 ↓

Analogs

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Popular Name: 3-chloro-5-fluoro-N-(1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide 3-chloro-5-fluoro-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) 1.78 4.7 -18.11 2 5 0 71 296.714 2 ↓
Hi High (pH 8-9.5) 1.85 3.23 -43.4 1 5 -1 77 295.706 2 ↓

Analogs

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Popular Name: 1-ethyl-N-(1,3,4-thiadiazol-2-yl)indole-2-carboxamide 1-ethyl-N-(1,3,4-thiadiazol-2-yl…

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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) 2.45 6.59 -14.99 1 5 0 60 272.333 3 ↓
Hi High (pH 8-9.5) 2.52 4.94 -46.9 0 5 -1 66 271.325 3 ↓

Analogs

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Popular Name: 3,5-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide 3,5-dichloro-N-(5-methyl-1,3,4-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) 2.98 5.9 -17.24 2 5 0 71 327.196 2 ↓
Hi High (pH 8-9.5) 3.05 4.43 -45.35 1 5 -1 77 326.188 2 ↓

Analogs

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Popular Name: 3-chloro-5-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide 3-chloro-5-fluoro-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) 1.49 5.45 -17.96 2 5 0 71 310.741 2 ↓
Hi High (pH 8-9.5) 1.56 3.98 -45.51 1 5 -1 77 309.733 2 ↓

Analogs

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Popular Name: 5-bromo-3-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide 5-bromo-3-chloro-N-(5-methyl-1,3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.11 6 -17.02 2 5 0 71 371.647 2 ↓
Hi High (pH 8-9.5) 3.18 4.53 -45.15 1 5 -1 77 370.639 2 ↓

Analogs

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Popular Name: 3-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide 3-bromo-N-(5-methyl-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) 2.46 5.49 -16.62 2 5 0 71 337.202 2 ↓
Hi High (pH 8-9.5) 2.53 4.12 -48.14 1 5 -1 77 336.194 2 ↓

Analogs

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Popular Name: 3-chloro-1-methyl-N-(1,3,4-thiadiazol-2-yl)indole-2-carboxamide 3-chloro-1-methyl-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) 2.68 6.08 -16.13 1 5 0 60 292.751 2 ↓
Hi High (pH 8-9.5) 2.75 4.23 -49.72 0 5 -1 66 291.743 2 ↓

Analogs

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Popular Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide N-(5-isobutyl-1,3,4-thiadiazol-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) 3.04 6.87 -14.68 2 5 0 71 300.387 4 ↓

Parameters Provided:

ring.id = 127917
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 = 127917 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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