UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11840646
11840646

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Popular Name: (1S)-2-[[2-(2,4-difluorophenyl)-5-methyl-oxazol-4-yl]methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]p (1S)-2-[[2-(2,4-difluorophenyl)-…

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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) 3.71 1.84 -42 1 4 1 35 344.385 3 ↓

Analogs

11840644
11840644

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Popular Name: (1R)-2-[[2-(2,4-difluorophenyl)-5-methyl-oxazol-4-yl]methyl]-1-methyl-3,4-dihydro-1H-pyrrolo[2,1-c]p (1R)-2-[[2-(2,4-difluorophenyl)-…

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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) 3.71 2.43 -38.63 1 4 1 35 344.385 3 ↓

Analogs

12004500
12004500

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Popular Name: (1S)-1-ethyl-2-[[5-methyl-2-(m-tolyl)oxazol-4-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (1S)-1-ethyl-2-[[5-methyl-2-(m-t…

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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) 4.38 0.94 -38.65 1 4 1 35 336.459 4 ↓

Analogs

12004496
12004496

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Popular Name: (1R)-1-ethyl-2-[[5-methyl-2-(m-tolyl)oxazol-4-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (1R)-1-ethyl-2-[[5-methyl-2-(m-t…

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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) 4.38 0.9 -38.23 1 4 1 35 336.459 4 ↓

Analogs

12027303
12027303

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Popular Name: (1S)-1-methyl-2-[[5-methyl-2-(m-tolyl)oxazol-4-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (1S)-1-methyl-2-[[5-methyl-2-(m-…

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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) 3.88 0.54 -38.87 1 4 1 35 322.432 3 ↓

Analogs

12027297
12027297

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Popular Name: (1R)-1-methyl-2-[[5-methyl-2-(m-tolyl)oxazol-4-yl]methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (1R)-1-methyl-2-[[5-methyl-2-(m-…

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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) 3.88 1.05 -37.78 1 4 1 35 322.432 3 ↓

Parameters Provided:

ring.id = 58909
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 = 58909 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=58909&filter.purchasability=annotated

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