UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: ethyl ethyl

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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) 4.32 4.47 -12.63 0 6 0 93 408.479 6 ↓

Analogs

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Popular Name: 4-[(3-amino-2-pyridyl)sulfanylmethyl]-7-hydroxy-chromen-2-one 4-[(3-amino-2-pyridyl)sulfanylme…

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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) 2.17 4.26 -11.8 3 5 0 89 300.339 3 ↓

Analogs

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Popular Name: 4-[(3-amino-2-pyridyl)sulfanylmethyl]-7-bromo-chromen-2-one 4-[(3-amino-2-pyridyl)sulfanylme…

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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) 3.46 7.72 -9.21 2 4 0 69 363.236 3 ↓

Analogs

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Popular Name: 4-[(3-amino-2-pyridyl)sulfanylmethyl]-7-methyl-chromen-2-one 4-[(3-amino-2-pyridyl)sulfanylme…

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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) 3.09 7.78 -10.78 2 4 0 69 298.367 3 ↓

Analogs

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Popular Name: 4-[(5-amino-2-pyridyl)sulfanylmethyl]-7-hydroxy-chromen-2-one 4-[(5-amino-2-pyridyl)sulfanylme…

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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) 2.38 4.19 -11.95 3 5 0 89 300.339 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(5-amino-2-pyridyl)sulfanylmethyl]-7-bromo-chromen-2-one 4-[(5-amino-2-pyridyl)sulfanylme…

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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) 3.67 7.66 -9.44 2 4 0 69 363.236 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(5-amino-2-pyridyl)sulfanylmethyl]-7-methyl-chromen-2-one 4-[(5-amino-2-pyridyl)sulfanylme…

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) 3.31 7.71 -11 2 4 0 69 298.367 3 ↓

Parameters Provided:

ring.id = 4931
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 = 4931 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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