UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14562821
14562821

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Popular Name: 2-piperazineacetic acid, 1-[[[(2-methylphenyl)acetyl]amino]thioxomethyl]-3-oxo-, 2-phenoxyethyl ester 2-piperazineacetic acid, 1-[[[(2…

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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) 2.43 10.62 -22.1 2 8 0 97 469.563 11 ↓

Analogs

14562818
14562818

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Popular Name: 2-piperazineacetic acid, 1-[[[(2-methylphenyl)acetyl]amino]thioxomethyl]-3-oxo-, 2-phenoxyethyl ester 2-piperazineacetic acid, 1-[[[(2…

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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) 2.43 10.74 -23.84 2 8 0 97 469.563 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]thioxomethyl]-3-oxo-, 2-phenoxyethyl ester 2-piperazineacetic acid, 1-[[[2-…

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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) 4.12 13.36 -21.08 2 8 0 97 525.671 13 ↓
Hi High (pH 8-9.5) 4.31 12.78 -60.6 1 8 -1 103 524.663 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]thioxomethyl]-3-oxo-, 2-phenoxyethyl ester 2-piperazineacetic acid, 1-[[[2-…

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) 4.12 13.38 -21.26 2 8 0 97 525.671 13 ↓
Hi High (pH 8-9.5) 4.31 12.79 -61.2 1 8 -1 103 524.663 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]thioxomethyl]-3-oxo-, 2-phenoxyethyl ester 2-piperazineacetic acid, 1-[[[2-…

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) 4.12 13.52 -23.02 2 8 0 97 525.671 13 ↓
Hi High (pH 8-9.5) 4.31 12.79 -62.03 1 8 -1 103 524.663 13 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-piperazineacetic acid, 1-[[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]amino]thioxomethyl]-3-oxo-, 2-phenoxyethyl ester 2-piperazineacetic acid, 1-[[[2-…

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) 4.12 13.48 -22.99 2 8 0 97 525.671 13 ↓
Hi High (pH 8-9.5) 4.31 12.8 -62.65 1 8 -1 103 524.663 13 ↓

Parameters Provided:

ring.id = 247920
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 = 247920 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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