UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

45647501
45647501
45647502
45647502
45647504
45647504
45647506
45647506

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Popular Name: 3-(4-cyanophenyl)-N-[[(1R)-cyclohex-3-en-1-yl]methyl]propanamide 3-(4-cyanophenyl)-N-[[(1R)-cyclo…

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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) 3.30 8.79 -10.07 1 3 0 53 268.36 5 ↓

Analogs

45647501
45647501
45647502
45647502
45647504
45647504
45647506
45647506

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Popular Name: 3-(4-cyanophenyl)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]propanamide 3-(4-cyanophenyl)-N-[[(1S)-cyclo…

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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) 3.30 8.79 -10.06 1 3 0 53 268.36 5 ↓

Analogs

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Popular Name: N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-(2-hydroxyphenyl)propanamide N-[[(1R)-cyclohex-3-en-1-yl]meth…

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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) 3.48 5.6 -9.5 2 3 0 49 259.349 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(2-hydroxyphenyl)propanamide N-[[(1S)-cyclohex-3-en-1-yl]meth…

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) 3.48 5.6 -9.54 2 3 0 49 259.349 5 ↓

Parameters Provided:

ring.id = 469756
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 = 469756 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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