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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R,5S)-3-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]-5-methyl-tetrahydrofuran-2- (3R,5S)-3-[(3R)-3-[(3,5-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) -0.62 8.55 -52.29 1 6 1 61 293.391 3 ↓
Mid Mid (pH 6-8) -0.62 6.24 -12.32 0 6 0 60 292.383 3 ↓
Lo Low (pH 4.5-6) -0.62 8.98 -97.61 2 6 2 63 294.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,5S)-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]-5-methyl-tetrahydrofuran-2- (3R,5S)-3-[(3S)-3-[(3,5-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) -0.62 9.2 -48.67 1 6 1 61 293.391 3 ↓
Mid Mid (pH 6-8) -0.62 7.01 -12.02 0 6 0 60 292.383 3 ↓
Lo Low (pH 4.5-6) -0.62 9.63 -89.42 2 6 2 63 294.399 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]tetrahydrofuran-2-one (3R)-3-[(3R)-3-[(3,5-dimethyl-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) -0.73 7.8 -52.06 1 6 1 61 279.364 3 ↓
Mid Mid (pH 6-8) -0.73 5.47 -12.71 0 6 0 60 278.356 3 ↓
Lo Low (pH 4.5-6) -0.73 8.23 -96.95 2 6 2 63 280.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]tetrahydrofuran-2-one (3R)-3-[(3S)-3-[(3,5-dimethyl-1,…

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Activity (Go SEA)

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) -0.73 8.45 -48.59 1 6 1 61 279.364 3 ↓
Mid Mid (pH 6-8) -0.73 6.25 -12.27 0 6 0 60 278.356 3 ↓
Lo Low (pH 4.5-6) -0.73 8.88 -88.94 2 6 2 63 280.372 3 ↓

Parameters Provided:

ring.id = 476883
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 = 476883 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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