UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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 7.86 -15.87 2 6 0 84 408.277 6 ↓
Hi High (pH 8-9.5) 3.85 6.67 -44.03 1 6 -1 90 407.269 6 ↓

Analogs

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Popular Name: 7-amino-N-(5-bromothiazol-2-yl)-1H-indole-2-carboxamide 7-amino-N-(5-bromothiazol-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) 2.71 3.63 -12.16 4 5 0 84 337.202 2 ↓

Analogs

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Popular Name: 7-amino-N-(4-ethyl-5-methyl-thiazol-2-yl)-1H-indole-2-carboxamide 7-amino-N-(4-ethyl-5-methyl-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) 2.80 4.65 -9.46 4 5 0 84 300.387 3 ↓

Analogs

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Popular Name: 5-amino-N-(5-bromothiazol-2-yl)-1H-indole-2-carboxamide 5-amino-N-(5-bromothiazol-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) 2.33 3.6 -12.52 4 5 0 84 337.202 2 ↓

Analogs

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Popular Name: 5-amino-N-(4-ethyl-5-methyl-thiazol-2-yl)-1H-indole-2-carboxamide 5-amino-N-(4-ethyl-5-methyl-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) 2.41 4.63 -9.88 4 5 0 84 300.387 3 ↓

Analogs

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Popular Name: 6-bromo-N-(4,5-dimethylthiazol-2-yl)-1H-indole-2-carboxamide 6-bromo-N-(4,5-dimethylthiazol-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) 3.57 6.94 -12.77 2 4 0 58 350.241 2 ↓

Analogs

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Popular Name: N-(4,5-dimethylthiazol-2-yl)-5-fluoro-1H-indole-2-carboxamide N-(4,5-dimethylthiazol-2-yl)-5-f…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.95 6.4 -14.63 2 4 0 58 289.335 2 ↓

Analogs

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Popular Name: 5-bromo-N-(4,5-dimethylthiazol-2-yl)-1H-indole-2-carboxamide 5-bromo-N-(4,5-dimethylthiazol-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) 3.57 6.96 -13.82 2 4 0 58 350.241 2 ↓

Analogs

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Popular Name: 3-bromo-N-(4,5-dimethylthiazol-2-yl)-1H-indole-2-carboxamide 3-bromo-N-(4,5-dimethylthiazol-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) 3.52 6.96 -14.9 2 4 0 58 350.241 2 ↓

Analogs

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

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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) 3.39 6.85 -15.32 2 4 0 58 305.79 2 ↓

Analogs

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Popular Name: 3-chloro-N-(4-methylthiazol-2-yl)-1H-indole-2-carboxamide 3-chloro-N-(4-methylthiazol-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) 3.17 5.79 -9.61 2 4 0 58 291.763 2 ↓

Analogs

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Popular Name: 3-chloro-5-fluoro-N-(4-methylthiazol-2-yl)-1H-indole-2-carboxamide 3-chloro-5-fluoro-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) 2.34 5.85 -10.29 2 4 0 58 309.753 2 ↓

Analogs

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Popular Name: 5-bromo-3-chloro-N-(4-methylthiazol-2-yl)-1H-indole-2-carboxamide 5-bromo-3-chloro-N-(4-methylthia…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.96 6.41 -9.48 2 4 0 58 370.659 2 ↓

Analogs

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Popular Name: 3-chloro-1-methyl-N-(4-methylthiazol-2-yl)indole-2-carboxamide 3-chloro-1-methyl-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) 3.24 7.24 -9.43 1 4 0 47 305.79 2 ↓

Analogs

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Popular Name: 3-chloro-5-fluoro-N-(5-methylthiazol-2-yl)-1H-indole-2-carboxamide 3-chloro-5-fluoro-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) 2.34 6.41 -15.72 2 4 0 58 309.753 2 ↓

Analogs

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Popular Name: 5-bromo-3-chloro-N-(5-methylthiazol-2-yl)-1H-indole-2-carboxamide 5-bromo-3-chloro-N-(5-methylthia…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.96 6.97 -14.74 2 4 0 58 370.659 2 ↓

Analogs

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Popular Name: 3-chloro-1-methyl-N-(5-methylthiazol-2-yl)indole-2-carboxamide 3-chloro-1-methyl-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) 3.24 7.79 -13.87 1 4 0 47 305.79 2 ↓

Analogs

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

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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 6.34 -14.14 2 4 0 58 271.345 2 ↓

Analogs

10636551
10636551

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Popular Name: N-(4-tert-butylthiazol-2-yl)-1H-indole-2-carboxamide N-(4-tert-butylthiazol-2-yl)-1H-…

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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) 4.29 7.31 -8.05 2 4 0 58 299.399 3 ↓

Parameters Provided:

ring.id = 133534
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 = 133534 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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