UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35017559
35017559
35017562
35017562
35017563
35017563

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4aS,8aR)-N-[3-(2-furylmethoxy)propyl]decalin-2-amine (2R,4aS,8aR)-N-[3-(2-furylmethox…

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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) 4.02 8.55 -43.8 2 3 1 39 292.443 7 ↓

Analogs

35017562
35017562
35017563
35017563
35017557
35017557

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aS,8aR)-N-[3-(2-furylmethoxy)propyl]decalin-2-amine (2S,4aS,8aR)-N-[3-(2-furylmethox…

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) 4.02 8.53 -43.25 2 3 1 39 292.443 7 ↓

Analogs

35017563
35017563
35017557
35017557
35017559
35017559

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4aR,8aR)-N-[3-(2-furylmethoxy)propyl]decalin-2-amine (2R,4aR,8aR)-N-[3-(2-furylmethox…

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) 4.02 8.9 -43.04 2 3 1 39 292.443 7 ↓

Analogs

35017557
35017557
35017559
35017559
35017562
35017562

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aR,8aR)-N-[3-(2-furylmethoxy)propyl]decalin-2-amine (2S,4aR,8aR)-N-[3-(2-furylmethox…

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) 4.02 9.11 -42.33 2 3 1 39 292.443 7 ↓

Parameters Provided:

ring.id = 15014
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 = 15014 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=15014&filter.purchasability=annotated

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