UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]ethanamine 2-[1-(3-pyrrolidin-1-ylpropyl)in…

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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) 1.84 9.2 -91.06 4 3 2 37 273.424 6 ↓

Analogs

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Popular Name: 1-(3-pyrrolidin-1-ylpropyl)indol-5-amine 1-(3-pyrrolidin-1-ylpropyl)indol…

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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) 1.98 8.22 -40.69 3 3 1 35 244.362 4 ↓

Analogs

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Popular Name: 1-(3-pyrrolidin-1-ylpropyl)indol-6-amine 1-(3-pyrrolidin-1-ylpropyl)indol…

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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) 1.98 8.22 -39.54 3 3 1 35 244.362 4 ↓

Analogs

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Popular Name: 2-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic 2-[1-(3-pyrrolidin-1-ylpropyl)in…

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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 11.76 -75.8 1 4 0 49 286.375 6 ↓

Analogs

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Popular Name: 1-(3-pyrrolidin-1-ylpropyl)indole-3-carboxylic 1-(3-pyrrolidin-1-ylpropyl)indol…

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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 10.91 -82.53 1 4 0 49 272.348 5 ↓

Analogs

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Popular Name: 1-(3-pyrrolidin-1-ylpropyl)indole-2-carboxylic 1-(3-pyrrolidin-1-ylpropyl)indol…

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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) 2.74 10.69 -55.54 1 4 0 49 272.348 5 ↓

Analogs

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Popular Name: 1-(3-pyrrolidin-1-ylpropyl)indole-4-carboxylic 1-(3-pyrrolidin-1-ylpropyl)indol…

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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 10.84 -87.86 1 4 0 49 272.348 5 ↓

Parameters Provided:

ring.id = 316824
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 = 316824 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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