UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1,2,3-trimethyl-N-(2-phenylpropyl)indole-5-carboxamide 1,2,3-trimethyl-N-(2-phenylpropy…

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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) 4.60 1.17 -13.19 1 3 0 34 320.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2,3-trimethyl-N-(2-phenylpropyl)indole-5-carboxamide 1,2,3-trimethyl-N-(2-phenylpropy…

Find On: PubMed — Wikipedia — Google

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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) 4.60 1.14 -13.18 1 3 0 34 320.436 4 ↓

Analogs

40288024
40288024
13475342
13475342

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Popular Name: 1-(2-dimethylaminoethyl)-N-(1,1-dimethyl-2-phenyl-ethyl)indole-5-carboxamide 1-(2-dimethylaminoethyl)-N-(1,1-…

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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) 4.04 12.3 -54.01 2 4 1 38 364.513 7 ↓
Hi High (pH 8-9.5) 4.04 9.82 -11.01 1 4 0 37 363.505 7 ↓

Analogs

40288024
40288024
2466314
2466314
19855984
19855984

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Popular Name: 1-(2-dimethylaminoethyl)-N-[2-(3-fluorophenyl)ethyl]indole-5-carboxamide 1-(2-dimethylaminoethyl)-N-[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) 3.37 11.43 -57.3 2 4 1 38 354.449 7 ↓
Hi High (pH 8-9.5) 3.37 8.95 -13.5 1 4 0 37 353.441 7 ↓

Parameters Provided:

ring.id = 4507
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 = 4507 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=4507&filter.purchasability=annotated

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