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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

44514502
44514502
44518213
44518213
44518600
44518600

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-piperidylmethyl)-1,4-thiazinane 4-(4-piperidylmethyl)-1,4-thiazi…

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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) -0.19 0.47 -49.96 2 4 1 54 233.357 2 ↓
Lo Low (pH 4.5-6) -0.19 2.34 -118.93 3 4 2 55 234.365 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-methyl-4-piperidyl)methyl]-1,4-thiazinane 4-[(4-methyl-4-piperidyl)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) 0.06 0.85 -50.85 2 4 1 54 247.384 2 ↓
Lo Low (pH 4.5-6) 0.06 1.62 -116.08 3 4 2 55 248.392 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-ethyl-4-piperidyl)methyl]-1,4-thiazinane 4-[(4-ethyl-4-piperidyl)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) 0.39 2.91 -51.39 2 4 1 54 261.411 3 ↓
Lo Low (pH 4.5-6) 0.39 1.99 -115.66 3 4 2 55 262.419 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-propyl-4-piperidyl)methyl]-1,4-thiazinane 4-[(4-propyl-4-piperidyl)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) 0.95 2.12 -53.28 2 4 1 54 275.438 4 ↓
Lo Low (pH 4.5-6) 0.95 2.75 -127.99 3 4 2 55 276.446 4 ↓

Parameters Provided:

ring.id = 79587
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 = 79587 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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