UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 7-amino-N-cyclobutyl-1H-indole-2-carboxamide 7-amino-N-cyclobutyl-1H-indole-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) 1.69 2.89 -9.42 4 4 0 71 229.283 2 ↓

Analogs

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Popular Name: 5-amino-N-cyclobutyl-1H-indole-2-carboxamide 5-amino-N-cyclobutyl-1H-indole-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) 1.30 2.86 -9.81 4 4 0 71 229.283 2 ↓

Analogs

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Popular Name: N-(1-cyanocyclobutyl)-6-ethoxy-N-methyl-1H-indole-2-carboxamide N-(1-cyanocyclobutyl)-6-ethoxy-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) 2.76 7.16 -16.4 1 5 0 69 297.358 4 ↓

Analogs

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Popular Name: 3,5-dichloro-N-(1-cyanocyclobutyl)-N-methyl-1H-indole-2-carboxamide 3,5-dichloro-N-(1-cyanocyclobuty…

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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) 3.61 7.44 -12.74 1 4 0 60 322.195 2 ↓

Analogs

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Popular Name: N-(1-cyanocyclobutyl)-N,4,6-trimethyl-1H-indole-2-carboxamide N-(1-cyanocyclobutyl)-N,4,6-trim…

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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) 3.15 8.23 -16.79 1 4 0 60 281.359 2 ↓

Analogs

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Popular Name: N-(1-cyanocyclobutyl)-6-ethoxy-1H-indole-2-carboxamide N-(1-cyanocyclobutyl)-6-ethoxy-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) 2.52 5.18 -15.33 2 5 0 78 283.331 4 ↓

Analogs

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Popular Name: N-(1-cyanocyclobutyl)-N,1-dimethyl-indole-2-carboxamide N-(1-cyanocyclobutyl)-N,1-dimeth…

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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 7.93 -16.45 0 4 0 49 267.332 2 ↓

Analogs

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Popular Name: 3-bromo-N-(1-cyanocyclobutyl)-N-methyl-1H-indole-2-carboxamide 3-bromo-N-(1-cyanocyclobutyl)-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) 3.09 7.01 -13.17 1 4 0 60 332.201 2 ↓

Analogs

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Popular Name: 6-chloro-N-(1-cyanocyclobutyl)-N-methyl-1H-indole-2-carboxamide 6-chloro-N-(1-cyanocyclobutyl)-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) 3.01 7.45 -15.28 1 4 0 60 287.75 2 ↓

Analogs

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Popular Name: N-(1-cyanocyclobutyl)-N,5-dimethyl-1H-indole-2-carboxamide N-(1-cyanocyclobutyl)-N,5-dimeth…

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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) 2.78 7.63 -17.1 1 4 0 60 267.332 2 ↓

Analogs

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Popular Name: N-(1-cyanocyclobutyl)-4-fluoro-N-methyl-1H-indole-2-carboxamide N-(1-cyanocyclobutyl)-4-fluoro-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) 2.47 7.02 -19.91 1 4 0 60 271.295 2 ↓

Parameters Provided:

ring.id = 285307
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 = 285307 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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