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

Analogs

37846612
37846612
37846611
37846611

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-4-(4-methoxyphenyl)-N-methyl-butanamide N-(cyclopentylmethyl)-4-(4-metho…

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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) 4.09 9.8 -11.18 0 3 0 30 289.419 7 ↓

Analogs

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Popular Name: (4S)-4-amino-N-[(1S)-1-cyclopentylethyl]-4-phenyl-butanamide (4S)-4-amino-N-[(1S)-1-cyclopent…

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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) 1.19 6.84 -54.19 4 3 1 57 275.416 6 ↓
Hi High (pH 8-9.5) 1.19 6.5 -9.08 3 3 0 55 274.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-amino-N-[(1R)-1-cyclopentylethyl]-4-phenyl-butanamide (4S)-4-amino-N-[(1R)-1-cyclopent…

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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) 1.19 6.62 -54.28 4 3 1 57 275.416 6 ↓
Hi High (pH 8-9.5) 1.19 6.27 -9.17 3 3 0 55 274.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-amino-N-[(1S)-1-cyclopentylethyl]-4-phenyl-butanamide (4R)-4-amino-N-[(1S)-1-cyclopent…

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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) 1.19 6.84 -54.08 4 3 1 57 275.416 6 ↓
Hi High (pH 8-9.5) 1.19 6.54 -7.57 3 3 0 55 274.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-amino-N-[(1R)-1-cyclopentylethyl]-4-phenyl-butanamide (4R)-4-amino-N-[(1R)-1-cyclopent…

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) 1.19 6.62 -54.35 4 3 1 57 275.416 6 ↓
Hi High (pH 8-9.5) 1.19 6.31 -7.63 3 3 0 55 274.408 6 ↓

Parameters Provided:

ring.id = 78889
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 = 78889 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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