UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(2-furylmethyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine N-(2-furylmethyl)-2-(1-oxo-1,4-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) -0.36 1.55 -55.15 2 4 1 50 243.352 5 ↓
Hi High (pH 8-9.5) -0.36 0.17 -14.45 1 4 0 45 242.344 5 ↓

Analogs

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Popular Name: (1S)-1-(2-furyl)-N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]ethanamine (1S)-1-(2-furyl)-N-[2-(1-oxo-1,4…

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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) 0.20 2.04 -52.34 2 4 1 50 257.379 5 ↓
Hi High (pH 8-9.5) 0.20 0.83 -13.48 1 4 0 45 256.371 5 ↓

Analogs

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Popular Name: (1R)-1-(2-furyl)-N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]ethanamine (1R)-1-(2-furyl)-N-[2-(1-oxo-1,4…

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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) 0.20 2.03 -52.17 2 4 1 50 257.379 5 ↓
Hi High (pH 8-9.5) 0.20 0.86 -14.19 1 4 0 45 256.371 5 ↓

Analogs

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Popular Name: (2S)-N-(2-furylmethyl)-2-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine (2S)-N-(2-furylmethyl)-2-(1-oxo-…

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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) -0.03 2.6 -50.94 2 4 1 50 257.379 5 ↓
Hi High (pH 8-9.5) -0.03 1.23 -14.03 1 4 0 45 256.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-furylmethyl)-2-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine (2R)-N-(2-furylmethyl)-2-(1-oxo-…

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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) -0.03 2.66 -50.25 2 4 1 50 257.379 5 ↓
Hi High (pH 8-9.5) -0.03 0.89 -14.41 1 4 0 45 256.371 5 ↓

Parameters Provided:

ring.id = 59136
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 = 59136 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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