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

Analogs

12567891
12567891
12567890
12567890

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(3-chloro-4-fluoro-phenyl)methyl]-4-[4-(2-naphthylmethyl)piperazine-1-carbonyl]pyrrolidin-2- (4R)-1-[(3-chloro-4-fluoro-pheny…

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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) 4.16 12.18 -13.01 0 5 0 44 479.983 5 ↓
Mid Mid (pH 6-8) 4.16 14.4 -57.61 1 5 1 45 480.991 5 ↓

Analogs

12567891
12567891
12567890
12567890

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[(3-chloro-4-fluoro-phenyl)methyl]-4-[4-(2-naphthylmethyl)piperazine-1-carbonyl]pyrrolidin-2- (4S)-1-[(3-chloro-4-fluoro-pheny…

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) 4.16 12.17 -14.88 0 5 0 44 479.983 5 ↓
Mid Mid (pH 6-8) 4.16 14.39 -60.22 1 5 1 45 480.991 5 ↓

Analogs

35686367
35686367
35686366
35686366

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-[(4-chlorophenyl)methyl]-4-[4-(2-naphthylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one (4R)-1-[(4-chlorophenyl)methyl]-…

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) 4.07 12.14 -13 0 5 0 44 461.993 5 ↓
Mid Mid (pH 6-8) 4.07 14.36 -57.16 1 5 1 45 463.001 5 ↓

Analogs

35686367
35686367
35686366
35686366

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-[(4-chlorophenyl)methyl]-4-[4-(2-naphthylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one (4S)-1-[(4-chlorophenyl)methyl]-…

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) 4.07 12.13 -14.45 0 5 0 44 461.993 5 ↓
Mid Mid (pH 6-8) 4.07 14.35 -59.66 1 5 1 45 463.001 5 ↓

Parameters Provided:

ring.id = 604557
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 = 604557 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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