UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(3-diethoxyphosphorylpropyl)-7-[(4-fluorophenyl)methyl]-2-hydroxy-N-(2-methoxyethyl)-4-oxo-1,5-nap 1-(3-diethoxyphosphorylpropyl)-7…

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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) 2.32 9.95 -65.95 1 10 -1 132 548.528 14 ↓

Analogs

34997948
34997948

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Popular Name: 1-(3-diethoxyphosphorylpropyl)-7-[(4-fluorophenyl)methyl]-2-hydroxy-N-(2-hydroxyethyl)-4-oxo-1,5-nap 1-(3-diethoxyphosphorylpropyl)-7…

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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) 1.70 7.54 -67.28 2 10 -1 143 534.501 13 ↓

Analogs

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Popular Name: 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxami 7-[(4-fluorophenyl)methyl]-4-hyd…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50607-1-O Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other Other 5 0.43 Functional ≤ 10μM
Z50677-1-O Human Immunodeficiency Virus (cluster #1 Of 3), Other Other 2 0.45 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50677 Z50677 Human Immunodeficiency Virus 1.7 0.45 Functional ≤ 10μM
Z50607 Z50607 Human Immunodeficiency Virus 1 2 0.45 Functional ≤ 10μM

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) 1.38 3.82 -60.11 2 7 -1 107 370.36 5 ↓

Analogs

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Popular Name: 4-oxo-1-[(4-phenylphenyl)methyl]-1,5-naphthyridine-3-carboxylic 4-oxo-1-[(4-phenylphenyl)methyl]…

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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) 3.77 12.51 -78.05 0 5 -1 75 355.373 4 ↓
Lo Low (pH 4.5-6) 3.77 11.67 -35.63 1 5 0 78 356.381 4 ↓

Parameters Provided:

ring.id = 196343
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 = 196343 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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