UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(5-methyl-2,4-dioxo-pyrimidin-1-yl)methyl]triazol-1-yl]methylphosphonic [4-[(5-methyl-2,4-dioxo-pyrimidi…

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) -1.75 -1.03 -46.33 2 10 -1 146 300.191 4 ↓
Mid Mid (pH 6-8) -1.75 0.08 -124.44 1 10 -2 149 299.183 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]methylphosphonic [4-[(2,4-dioxopyrimidin-1-yl)met…

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) -2.45 -1.7 -46.79 2 10 -1 146 286.164 4 ↓
Mid Mid (pH 6-8) -2.45 -0.6 -125.02 1 10 -2 149 285.156 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(5-methyl-2,4-dioxo-pyrimidin-1-yl)methyl]triazol-1-yl]ethylphosphonic 2-[4-[(5-methyl-2,4-dioxo-pyrimi…

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) -1.74 -0.24 -44.79 2 10 -1 146 314.218 5 ↓
Mid Mid (pH 6-8) -1.74 0.88 -125.4 1 10 -2 149 313.21 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]ethylphosphonic 2-[4-[(2,4-dioxopyrimidin-1-yl)m…

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) -2.44 -0.91 -45.34 2 10 -1 146 300.191 5 ↓
Mid Mid (pH 6-8) -2.44 0.21 -125.98 1 10 -2 149 299.183 5 ↓

Parameters Provided:

ring.id = 366282
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 = 366282 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=366282&filter.purchasability=annotated

Embed Link to Results