UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38792185
38792185

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Popular Name: isopropyl 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) 4.19 10.34 -12.01 1 7 0 81 437.54 5 ↓
Lo Low (pH 4.5-6) 4.19 10.69 -32.65 2 7 1 82 438.548 5 ↓

Analogs

38792185
38792185

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Popular Name: isopropyl 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) 4.19 10.32 -11.02 1 7 0 81 437.54 5 ↓
Lo Low (pH 4.5-6) 4.19 10.67 -32.45 2 7 1 82 438.548 5 ↓

Analogs

38792185
38792185

Draw Identity 99% 90% 80% 70%

Popular Name: isopropyl isopropyl

Find On: PubMed — Wikipedia — Google

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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) 4.19 10.34 -10.85 1 7 0 81 437.54 5 ↓
Lo Low (pH 4.5-6) 4.19 10.71 -32.13 2 7 1 82 438.548 5 ↓

Analogs

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Popular Name: (8R)-N-allyl-8-methyl-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine-2-carboxamide (8R)-N-allyl-8-methyl-6-phenyl-1…

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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) 3.90 8.3 -12.35 1 5 0 54 363.461 3 ↓
Lo Low (pH 4.5-6) 3.90 8.65 -33.82 2 5 1 56 364.469 3 ↓

Analogs

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Popular Name: (8R)-2-butylsulfonyl-8-methyl-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridine (8R)-2-butylsulfonyl-8-methyl-6-…

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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) 3.87 8.04 -11.65 0 5 0 60 400.544 5 ↓

Analogs

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Popular Name: 2-methoxy-1-[(8R)-8-methyl-6-phenyl-1,3,4,7,8,10-hexahydropyrano[4,3-c][1,6]naphthyridin-2-yl]ethano 2-methoxy-1-[(8R)-8-methyl-6-phe…

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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) 2.36 8.21 -15.12 0 5 0 52 352.434 3 ↓
Lo Low (pH 4.5-6) 2.36 8.57 -38.25 1 5 1 53 353.442 3 ↓

Parameters Provided:

ring.id = 473421
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 = 473421 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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