UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl 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) 2.90 8.79 -17.85 1 7 0 85 384.775 4 ↓

Analogs

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Popular Name: (3aR,6aR)-5-(3-chloro-4-fluoro-phenyl)-3-(2,3-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole- (3aR,6aR)-5-(3-chloro-4-fluoro-p…

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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) 2.51 6.84 -8.79 1 7 0 77 404.781 4 ↓

Analogs

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Popular Name: (3aS,6aR)-3-(3,4-dimethoxyphenyl)-5-(4-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione (3aS,6aR)-3-(3,4-dimethoxyphenyl…

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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) 1.52 6.88 -12.17 1 10 0 123 397.343 5 ↓

Analogs

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Popular Name: 5,5-dimethyl-3-[(4R,5S)-5-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydroisoxazole-4-carbonyl]oxazolidi 5,5-dimethyl-3-[(4R,5S)-5-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) 3.13 7.45 -8.77 1 6 0 68 344.411 2 ↓

Analogs

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Popular Name: 3-[(4R,5S)-3-(4-methoxyphenyl)-5-methyl-4,5-dihydroisoxazole-4-carbonyl]-5,5-dimethyl-oxazolidin-2-o 3-[(4R,5S)-3-(4-methoxyphenyl)-5…

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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) 1.99 5.21 -10.8 1 7 0 77 332.356 3 ↓

Analogs

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Popular Name: 3-[(4R,5S)-3-(4-chlorophenyl)-5-methyl-4,5-dihydroisoxazole-4-carbonyl]-5,5-dimethyl-oxazolidin-2-on 3-[(4R,5S)-3-(4-chlorophenyl)-5-…

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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) 2.61 6.41 -9.26 1 6 0 68 336.775 2 ↓

Analogs

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Popular Name: (3aS,6aR)-3-(1,5-dimethylpyrazol-4-yl)-5-(3-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-di (3aS,6aR)-3-(1,5-dimethylpyrazol…

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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) 0.45 6.21 -18.11 1 10 0 122 355.31 3 ↓

Analogs

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Popular Name: (3aS,6aR)-5-(3-chlorophenyl)-3-(1,3-dimethylpyrazol-4-yl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-d (3aS,6aR)-5-(3-chlorophenyl)-3-(…

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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) 1.17 6.09 -10.86 1 7 0 76 344.758 2 ↓

Analogs

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Popular Name: N-[(S)-1H-benzimidazol-5-yl(phenyl)methyl]-3-[(5S)-3,5-dimethyl-2,5-dihydroisoxazol-4-yl]propanamide N-[(S)-1H-benzimidazol-5-yl(phen…

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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) 3.51 9.38 -15.51 3 6 0 79 376.46 6 ↓
Lo Low (pH 4.5-6) 3.51 9.85 -45.47 4 6 1 80 377.468 6 ↓

Parameters Provided:

ring.id = 5937
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 = 5937 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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