UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43608299
43608299
43608301
43608301
43608303
43608303

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Popular Name: N-[(R)-2-furyl-[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine N-[(R)-2-furyl-[(2S)-tetrahydrof…

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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) 1.69 4.47 -35.27 2 3 1 39 196.27 4 ↓

Analogs

43608301
43608301
43608303
43608303
43608296
43608296

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-2-furyl-[(2S)-tetrahydrofuran-2-yl]methyl]ethanamine N-[(S)-2-furyl-[(2S)-tetrahydrof…

Find On: PubMed — Wikipedia — Google

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) 1.69 4.17 -33.72 2 3 1 39 196.27 4 ↓

Analogs

43608303
43608303
43608296
43608296
43608299
43608299

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-2-furyl-[(2R)-tetrahydrofuran-2-yl]methyl]ethanamine N-[(R)-2-furyl-[(2R)-tetrahydrof…

Find On: PubMed — Wikipedia — Google

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) 1.69 4.21 -34.8 2 3 1 39 196.27 4 ↓

Analogs

43608296
43608296
43608299
43608299
43608301
43608301

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-2-furyl-[(2R)-tetrahydrofuran-2-yl]methyl]ethanamine N-[(S)-2-furyl-[(2R)-tetrahydrof…

Find On: PubMed — Wikipedia — Google

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) 1.69 4.45 -34.67 2 3 1 39 196.27 4 ↓

Parameters Provided:

ring.id = 1351
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 = 1351 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=1351&filter.purchasability=annotated

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