UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-[3-[(3S)-3-methyl-1-piperidyl]propylamino]-4-(p-tolyl)cyclobut-3-ene-1,2-dione 3-[3-[(3S)-3-methyl-1-piperidyl]…

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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) 2.42 9.45 -48.01 1 4 0 51 327.448 5 ↓
Mid Mid (pH 6-8) 2.42 9.43 -59.46 1 4 0 51 327.448 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[(3R)-3-methyl-1-piperidyl]propylamino]-4-(p-tolyl)cyclobut-3-ene-1,2-dione 3-[3-[(3R)-3-methyl-1-piperidyl]…

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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) 2.42 9.45 -47.99 1 4 0 51 327.448 5 ↓
Mid Mid (pH 6-8) 2.42 9.43 -59.35 1 4 0 51 327.448 5 ↓

Analogs

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Popular Name: 3-(4-isopropylphenyl)-4-[3-[(3R)-3-methyl-1-piperidyl]propylamino]cyclobut-3-ene-1,2-dione 3-(4-isopropylphenyl)-4-[3-[(3R)…

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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) 3.48 10.67 -47.5 1 4 0 51 355.502 6 ↓
Mid Mid (pH 6-8) 3.48 10.64 -59.13 1 4 0 51 355.502 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-isopropylphenyl)-4-[3-[(3S)-3-methyl-1-piperidyl]propylamino]cyclobut-3-ene-1,2-dione 3-(4-isopropylphenyl)-4-[3-[(3S)…

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) 3.48 10.67 -47.52 1 4 0 51 355.502 6 ↓
Mid Mid (pH 6-8) 3.48 10.64 -59.27 1 4 0 51 355.502 6 ↓

Parameters Provided:

ring.id = 178017
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 = 178017 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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