UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

627211
627211

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Popular Name: dimethyl dimethyl

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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) 6.02 12.72 -15.66 1 6 0 74 486.362 8 ↓

Analogs

39326884
39326884
39326885
39326885
39326894
39326894
39326895
39326895

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Popular Name: allyl allyl

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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) 5.99 14.73 -15.47 1 5 0 71 446.572 10 ↓

Analogs

39326884
39326884
39326885
39326885
39326894
39326894
39326895
39326895

Draw Identity 99% 90% 80% 70%

Popular Name: allyl allyl

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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) 5.99 14.71 -15.51 1 5 0 71 446.572 10 ↓

Analogs

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Popular Name: 4-(4-benzoxyphenyl)-1-isopropyl-4H-pyridine-3,5-dicarboxylic-acid-dimethyl-ester 4-(4-benzoxyphenyl)-1-isopropyl-…

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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) 4.55 5.09 -11.67 0 6 0 65 421.493 9 ↓

Analogs

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Popular Name: 4-(4-benzoxyphenyl)-1-isopropyl-4H-pyridine-3,5-dicarboxylic-acid-diethyl-ester 4-(4-benzoxyphenyl)-1-isopropyl-…

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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) 5.30 5.04 -11.38 0 6 0 65 449.547 11 ↓

Analogs

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Popular Name: 4-(4-benzoxyphenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylic-acid-dimethyl-ester 4-(4-benzoxyphenyl)-1-(2-methoxy…

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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) 3.86 12.51 -13.81 0 7 0 74 437.492 11 ↓

Parameters Provided:

ring.id = 94476
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 = 94476 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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