UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16577246
16577246
16577249
16577249
16577252
16577252
44833477
44833477
6332601
6332601

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Popular Name: (1S,3R)-N-[(4-chlorophenyl)methyl]-3-[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]-2,2-dimethyl-cycl (1S,3R)-N-[(4-chlorophenyl)methy…

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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) 4.98 10.2 -15.21 2 4 0 58 433.379 7 ↓

Analogs

16577249
16577249
16577252
16577252
44833477
44833477
16577242
16577242
6332601
6332601

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-N-[(4-chlorophenyl)methyl]-3-[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]-2,2-dimethyl-cycl (1S,3S)-N-[(4-chlorophenyl)methy…

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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) 4.98 10.4 -9.25 2 4 0 58 433.379 7 ↓

Analogs

16577252
16577252
44833477
44833477
16577242
16577242
16577246
16577246

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-N-[(4-chlorophenyl)methyl]-3-[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]-2,2-dimethyl-cycl (1R,3R)-N-[(4-chlorophenyl)methy…

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) 4.98 10.41 -9.35 2 4 0 58 433.379 7 ↓

Analogs

44833477
44833477
16577242
16577242
16577246
16577246

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-N-[(4-chlorophenyl)methyl]-3-[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]-2,2-dimethyl-cycl (1R,3S)-N-[(4-chlorophenyl)methy…

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) 4.98 10.25 -15.61 2 4 0 58 433.379 7 ↓

Parameters Provided:

ring.id = 256363
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 = 256363 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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