UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) -3.00 -4.62 -75.02 6 11 0 174 321.206 2 ↓
Hi High (pH 8-9.5) -3.00 -5.59 -104.92 4 11 0 171 319.19 2 ↓
Mid Mid (pH 6-8) -3.00 -5.65 -79.87 5 11 0 172 320.198 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -3.00 -4.71 -70.77 6 11 0 174 321.206 2 ↓
Hi High (pH 8-9.5) -3.00 -5.69 -98.49 4 11 0 171 319.19 2 ↓
Mid Mid (pH 6-8) -3.00 -5.74 -79.25 5 11 0 172 320.198 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) -3.00 -4.62 -75.01 6 11 0 174 321.206 2 ↓
Hi High (pH 8-9.5) -3.00 -5.59 -104.88 4 11 0 171 319.19 2 ↓
Mid Mid (pH 6-8) -3.00 -5.65 -79.84 5 11 0 172 320.198 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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) -3.00 -4.71 -71.5 6 11 0 174 321.206 2 ↓
Hi High (pH 8-9.5) -3.00 -5.69 -98.98 4 11 0 171 319.19 2 ↓
Mid Mid (pH 6-8) -3.00 -5.74 -79.8 5 11 0 172 320.198 2 ↓

Parameters Provided:

ring.id = 446729
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 = 446729 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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