UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37818847
37818847

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Popular Name: 3-(cyclohexylmethylamino)-1-pyrrolidin-1-yl-propan-1-one 3-(cyclohexylmethylamino)-1-pyrr…

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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) 2.06 7.11 -47.53 2 3 1 37 239.383 5 ↓

Analogs

37806931
37806931
37806932
37806932
37806933
37806933
37806934
37806934
37810026
37810026

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Popular Name: 3-[[(1S)-1-cyclohexylethyl]amino]-1-pyrrolidin-1-yl-propan-1-one 3-[[(1S)-1-cyclohexylethyl]amino…

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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) 2.74 7.5 -43.25 2 3 1 37 253.41 5 ↓

Analogs

37806931
37806931
37806932
37806932
37806933
37806933
37806934
37806934
37810026
37810026

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R)-1-cyclohexylethyl]amino]-1-pyrrolidin-1-yl-propan-1-one 3-[[(1R)-1-cyclohexylethyl]amino…

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) 2.74 7.38 -43.77 2 3 1 37 253.41 5 ↓

Parameters Provided:

ring.id = 24908
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 = 24908 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=24908&filter.purchasability=annotated

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