UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

10505472
10505472

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Popular Name: 2-piperazineacetic acid, 1-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]-3-oxo-, 3-phenylpropyl ester 2-piperazineacetic acid, 1-[[(3,…

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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) 3.95 -1.64 -18.52 2 7 0 87 508.427 10 ↓

Analogs

10505466
10505466

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Popular Name: 2-piperazineacetic acid, 1-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]-3-oxo-, 3-phenylpropyl ester 2-piperazineacetic acid, 1-[[(3,…

Find On: PubMed — Wikipedia — Google

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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) 3.95 -1.77 -18.18 2 7 0 87 508.427 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(4-ethoxybenzoyl)amino]thioxomethyl]-3-oxo-, 3-phenylpropyl ester 2-piperazineacetic acid, 1-[[(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) 3.10 11.57 -21.25 2 8 0 97 483.59 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(4-ethoxybenzoyl)amino]thioxomethyl]-3-oxo-, 3-phenylpropyl ester 2-piperazineacetic acid, 1-[[(4-…

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) 3.10 11.7 -21.64 2 8 0 97 483.59 12 ↓

Parameters Provided:

ring.id = 9103
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 = 9103 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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