UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

10505462
10505462
14005133
14005133
14005135
14005135

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenoxyethyl 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) 3.22 -2.17 -20.36 2 8 0 96 510.399 10 ↓

Analogs

14005133
14005133
14005135
14005135
10505456
10505456

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenoxyethyl 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) 3.22 -2.28 -19.06 2 8 0 96 510.399 10 ↓

Analogs

9821129
9821129
9821136
9821136
9821462
9821462
9821470
9821470

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(4-ethoxybenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenoxyethyl 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) 2.37 9.71 -21.87 2 9 0 106 485.562 12 ↓

Analogs

9821129
9821129
9821136
9821136
9821462
9821462
9821470
9821470

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[(4-ethoxybenzoyl)amino]thioxomethyl]-3-oxo-, 2-phenoxyethyl 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) 2.37 9.84 -23.6 2 9 0 106 485.562 12 ↓

Parameters Provided:

ring.id = 9101
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 = 9101 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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