UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(2-furylmethyl)-1-(4-methyl-1,2,5-oxadiazol-3-yl)methanamine N-(2-furylmethyl)-1-(4-methyl-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) 1.07 1.56 -11.61 1 5 0 64 193.206 4 ↓
Lo Low (pH 4.5-6) 1.07 2.93 -55.64 2 5 1 69 194.214 4 ↓

Analogs

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Popular Name: (1S)-1-(2-furyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine (1S)-1-(2-furyl)-N-[(4-methyl-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) 1.63 2.23 -12.6 1 5 0 64 207.233 4 ↓
Lo Low (pH 4.5-6) 1.63 3.43 -51.82 2 5 1 69 208.241 4 ↓

Analogs

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Popular Name: (1R)-1-(2-furyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine (1R)-1-(2-furyl)-N-[(4-methyl-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) 1.63 2.2 -11.49 1 5 0 64 207.233 4 ↓
Lo Low (pH 4.5-6) 1.63 3.42 -52.69 2 5 1 69 208.241 4 ↓

Analogs

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Popular Name: (1R)-1-(5-methyl-2-furyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine (1R)-1-(5-methyl-2-furyl)-N-[(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) 1.85 3.05 -12.93 1 5 0 64 221.26 4 ↓
Mid Mid (pH 6-8) 1.85 4.25 -51.62 2 5 1 69 222.268 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-methyl-2-furyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine (1S)-1-(5-methyl-2-furyl)-N-[(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) 1.85 3.03 -11.7 1 5 0 64 221.26 4 ↓
Mid Mid (pH 6-8) 1.85 4.24 -52.61 2 5 1 69 222.268 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-methyl-2-furyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine 1-(5-methyl-2-furyl)-N-[(4-methy…

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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) 1.29 2.38 -13.27 1 5 0 64 207.233 4 ↓
Mid Mid (pH 6-8) 1.29 3.75 -56.81 2 5 1 69 208.241 4 ↓

Parameters Provided:

ring.id = 460084
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 = 460084 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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