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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-pyrrolidinemethanamine, N-ethyl-1-(4-phenoxyphenyl)- 3-pyrrolidinemethanamine, N-ethy…

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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) 4.11 9.8 -45.7 2 3 1 29 297.422 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-pyrrolidinemethanamine, N-ethyl-1-(4-phenoxyphenyl)- 3-pyrrolidinemethanamine, N-ethy…

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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) 4.11 9.8 -45.5 2 3 1 29 297.422 6 ↓

Analogs

45650472
45650472
45650474
45650474

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Popular Name: (3R)-N-ethyl-1-(4-phenoxyphenyl)pyrrolidin-3-amine (3R)-N-ethyl-1-(4-phenoxyphenyl)…

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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) 4.07 8.97 -44.14 2 3 1 29 283.395 5 ↓

Analogs

45654498
45654498
45654500
45654500

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Popular Name: (3S)-N-ethyl-1-(4-phenoxyphenyl)pyrrolidin-3-amine (3S)-N-ethyl-1-(4-phenoxyphenyl)…

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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) 4.07 9 -43.93 2 3 1 29 283.395 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-methyl-1-(4-phenoxyphenyl)pyrrolidin-3-amine (3R)-N-methyl-1-(4-phenoxyphenyl…

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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) 3.70 8.14 -45.35 2 3 1 29 269.368 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-methyl-1-(4-phenoxyphenyl)pyrrolidin-3-amine (3S)-N-methyl-1-(4-phenoxyphenyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.70 8.17 -45.07 2 3 1 29 269.368 4 ↓

Parameters Provided:

ring.id = 463434
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 = 463434 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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