UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: pyrimidin-5-ylBLAHol pyrimidin-5-ylBLAHol

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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) 1.88 4.08 -3.99 1 3 0 46 230.311 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: pyrimidin-5-ylBLAHol pyrimidin-5-ylBLAHol

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) 1.88 5.55 -4.91 1 3 0 46 230.311 1 ↓

Analogs

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Popular Name: pyrimidin-5-ylBLAHamine pyrimidin-5-ylBLAHamine

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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) 1.92 4.58 -51.19 3 3 1 53 230.335 1 ↓
Hi High (pH 8-9.5) 1.92 4.33 -3.21 2 3 0 52 229.327 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: pyrimidin-5-ylBLAHamine pyrimidin-5-ylBLAHamine

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) 1.92 5.8 -42.12 3 3 1 53 230.335 1 ↓
Hi High (pH 8-9.5) 1.92 5.88 -3.86 2 3 0 52 229.327 1 ↓

Parameters Provided:

ring.id = 31265
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 = 31265 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=31265&filter.purchasability=annotated

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