UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38580923
38580923

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Popular Name: 2-amino-8-(2-aminoethylsulfanyl)-9-[(1R,4R,6S,7R,8R)-4,7-dihydroxy-4-thioxo-3,5,9-trioxa-4$l^{5}-pho 2-amino-8-(2-aminoethylsulfanyl)…

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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) -1.36 -0.01 -83.84 8 12 1 185 437.42 4 ↓
Hi High (pH 8-9.5) -1.36 -0.4 -36.53 7 12 0 184 436.412 4 ↓

Analogs

38580922
38580922

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Popular Name: 2-amino-8-(2-aminoethylsulfanyl)-9-[(1R,4S,6S,7R,8R)-4,7-dihydroxy-4-thioxo-3,5,9-trioxa-4$l^{5}-pho 2-amino-8-(2-aminoethylsulfanyl)…

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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) -1.36 0.01 -68.45 8 12 1 185 437.42 4 ↓
Hi High (pH 8-9.5) -1.36 -0.38 -32.79 7 12 0 184 436.412 4 ↓

Analogs

42854039
42854039

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Popular Name: [(1R,3S,6R,8R,9R)-8-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-3-thioxo-2,4,7-trioxa-3$l^{5}-phosphabic [(1R,3S,6R,8R,9R)-8-(2-amino-6-o…

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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) -0.46 3.67 -79.83 8 14 1 204 504.486 9 ↓

Analogs

38580955
38580955

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Popular Name: 2-amino-8-bromo-9-[(1R,4R,6S,7R,8R)-4,7-dihydroxy-4-thioxo-3,5,9-trioxa-4$l^{5}-phosphabicyclo[4.3.0 2-amino-8-bromo-9-[(1R,4R,6S,7R,…

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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) 0.04 1.25 -34.65 5 11 0 158 440.172 1 ↓

Analogs

38580954
38580954

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Popular Name: 2-amino-8-bromo-9-[(1R,4S,6S,7R,8R)-4,7-dihydroxy-4-thioxo-3,5,9-trioxa-4$l^{5}-phosphabicyclo[4.3.0 2-amino-8-bromo-9-[(1R,4S,6S,7R,…

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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) 0.04 1.27 -32.68 5 11 0 158 440.172 1 ↓

Parameters Provided:

ring.id = 253423
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 = 253423 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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