UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4-amino-1-isopropyl-pyrrol-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (4-amino-1-isopropyl-pyrrol-2-yl…

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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) 0.01 1.3 -14.15 2 6 0 85 285.369 2 ↓

Analogs

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Popular Name: (4-amino-1H-pyrrol-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (4-amino-1H-pyrrol-2-yl)-(1,1-di…

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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) -0.80 -1.28 -16.53 3 6 0 96 243.288 1 ↓
Mid Mid (pH 6-8) -1.24 -2.45 -62.54 3 6 1 94 244.296 1 ↓

Analogs

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Popular Name: (4-amino-1-ethyl-pyrrol-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (4-amino-1-ethyl-pyrrol-2-yl)-(1…

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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) -0.35 0.68 -14.28 2 6 0 85 271.342 2 ↓

Analogs

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Popular Name: (4-amino-1-methyl-pyrrol-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (4-amino-1-methyl-pyrrol-2-yl)-(…

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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) -0.73 -0.14 -14.48 2 6 0 85 257.315 1 ↓

Analogs

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Popular Name: (4-amino-1-propyl-pyrrol-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (4-amino-1-propyl-pyrrol-2-yl)-(…

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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) 0.15 1.46 -14.28 2 6 0 85 285.369 3 ↓

Parameters Provided:

ring.id = 112911
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 = 112911 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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