UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43608457
43608457
43608460
43608460
43608462
43608462

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Popular Name: N-[(R)-2-furyl-[(3S)-tetrahydrofuran-3-yl]methyl]propan-1-amine N-[(R)-2-furyl-[(3S)-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) 2.30 4.7 -37.07 2 3 1 39 210.297 5 ↓

Analogs

43608460
43608460
43608462
43608462
43608453
43608453

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-2-furyl-[(3S)-tetrahydrofuran-3-yl]methyl]propan-1-amine N-[(S)-2-furyl-[(3S)-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) 2.30 4.58 -39.66 2 3 1 39 210.297 5 ↓

Analogs

43608462
43608462
43608453
43608453
43608457
43608457

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-2-furyl-[(3R)-tetrahydrofuran-3-yl]methyl]propan-1-amine N-[(R)-2-furyl-[(3R)-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) 2.30 4.58 -39.93 2 3 1 39 210.297 5 ↓

Analogs

43608453
43608453
43608457
43608457
43608460
43608460

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-2-furyl-[(3R)-tetrahydrofuran-3-yl]methyl]propan-1-amine N-[(S)-2-furyl-[(3R)-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) 2.30 4.79 -37.92 2 3 1 39 210.297 5 ↓

Parameters Provided:

ring.id = 1597
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 = 1597 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=1597&filter.purchasability=annotated

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