UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

55665095
55665095
55665096
55665096
37790224
37790224
37790225
37790225
37790712
37790712

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Popular Name: N'-cyclopentyl-N-[(1S)-2-(2-methoxyphenyl)-1-methyl-ethyl]-N-methyl-butanediamide N'-cyclopentyl-N-[(1S)-2-(2-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) 2.85 8.59 -11.43 1 5 0 59 346.471 8 ↓

Analogs

55665095
55665095
55665096
55665096
37790224
37790224
37790225
37790225
37790712
37790712

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Popular Name: N'-cyclopentyl-N-[(1R)-2-(2-methoxyphenyl)-1-methyl-ethyl]-N-methyl-butanediamide N'-cyclopentyl-N-[(1R)-2-(2-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) 2.85 8.21 -11.82 1 5 0 59 346.471 8 ↓

Analogs

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Popular Name: N'-cyclopentyl-N-[2-(3-hydroxy-4-methoxy-phenyl)ethyl]butanediamide N'-cyclopentyl-N-[2-(3-hydroxy-4…

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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) 1.61 3.56 -13.92 3 6 0 88 334.416 8 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-chlorophenyl)propyl]-N'-cyclopentyl-butanediamide N-[(2R)-2-(4-chlorophenyl)propyl…

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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) 3.75 7.53 -9.76 2 4 0 58 336.863 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-chlorophenyl)propyl]-N'-cyclopentyl-butanediamide N-[(2S)-2-(4-chlorophenyl)propyl…

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) 3.75 7.52 -9.75 2 4 0 58 336.863 7 ↓

Parameters Provided:

ring.id = 386382
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 = 386382 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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