UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37020783
37020783
37020784
37020784
37020785
37020785
37020786
37020786

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Popular Name: (3S)-N-[1-(4-bromophenyl)cyclopropyl]-3-cyclopropyl-butanamide (3S)-N-[1-(4-bromophenyl)cyclopr…

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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) 4.14 9.39 -7.21 1 2 0 29 322.246 5 ↓

Analogs

37020783
37020783
37020784
37020784
37020785
37020785
37020786
37020786

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[1-(4-bromophenyl)cyclopropyl]-3-cyclopropyl-butanamide (3R)-N-[1-(4-bromophenyl)cyclopr…

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) 4.14 9.3 -7.09 1 2 0 29 322.246 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-cyclopropyl-N-[1-(3,4-dichlorophenyl)cyclopropyl]butanamide (3S)-3-cyclopropyl-N-[1-(3,4-dic…

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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) 4.62 9.65 -8.02 1 2 0 29 312.24 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-cyclopropyl-N-[1-(3,4-dichlorophenyl)cyclopropyl]butanamide (3R)-3-cyclopropyl-N-[1-(3,4-dic…

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) 4.62 9.64 -7.78 1 2 0 29 312.24 5 ↓

Parameters Provided:

ring.id = 569768
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 = 569768 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=569768&filter.purchasability=annotated

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