UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]methyl]cyclopropanamine N-[[2-(1-oxo-1,4-thiazinan-4-yl)…

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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) 0.12 4.21 -49.51 2 4 1 50 272.419 4 ↓
Hi High (pH 8-9.5) 0.12 2.91 -16.06 1 4 0 45 271.411 4 ↓

Analogs

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Popular Name: N-[[2-(1-oxo-1,4-thiazinan-4-yl)-4-propyl-thiazol-5-yl]methyl]cyclopropanamine N-[[2-(1-oxo-1,4-thiazinan-4-yl)…

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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) 1.41 6.27 -49.68 2 4 1 50 314.5 6 ↓
Hi High (pH 8-9.5) 1.41 5 -16.49 1 4 0 45 313.492 6 ↓

Analogs

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Popular Name: N-[[4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]methyl]cyclopropanamine N-[[4-methyl-2-(1-oxo-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) 0.34 4.7 -49.8 2 4 1 50 286.446 4 ↓
Hi High (pH 8-9.5) 0.34 3.42 -16.38 1 4 0 45 285.438 4 ↓

Analogs

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Popular Name: N-[[4-tert-butyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]methyl]cyclopropanamine N-[[4-tert-butyl-2-(1-oxo-1,4-th…

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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) 2.06 6.63 -47.47 2 4 1 50 328.527 5 ↓
Hi High (pH 8-9.5) 2.06 5.37 -16.1 1 4 0 45 327.519 5 ↓

Analogs

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Popular Name: N-[[4-ethyl-2-(1-oxo-1,4-thiazinan-4-yl)thiazol-5-yl]methyl]cyclopropanamine N-[[4-ethyl-2-(1-oxo-1,4-thiazin…

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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) 0.91 5.49 -49.41 2 4 1 50 300.473 5 ↓
Hi High (pH 8-9.5) 0.91 4.21 -16.18 1 4 0 45 299.465 5 ↓

Parameters Provided:

ring.id = 366797
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 = 366797 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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