UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35017941
35017941
35017942
35017942
35017943
35017943

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Popular Name: (2R,4aS,8aR)-N-[3-[[(2S)-tetrahydrofuran-2-yl]methoxy]propyl]decalin-2-amine (2R,4aS,8aR)-N-[3-[[(2S)-tetrahy…

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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) 3.54 7.84 -41.41 2 3 1 35 296.475 7 ↓

Analogs

35017942
35017942
35017943
35017943
35017940
35017940

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Popular Name: (2R,4aS,8aS)-N-[3-[[(2S)-tetrahydrofuran-2-yl]methoxy]propyl]decalin-2-amine (2R,4aS,8aS)-N-[3-[[(2S)-tetrahy…

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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) 3.54 8.42 -39.95 2 3 1 35 296.475 7 ↓

Analogs

35017943
35017943
35017940
35017940
35017941
35017941

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aS,8aR)-N-[3-[[(2S)-tetrahydrofuran-2-yl]methoxy]propyl]decalin-2-amine (2S,4aS,8aR)-N-[3-[[(2S)-tetrahy…

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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) 3.54 7.84 -40.97 2 3 1 35 296.475 7 ↓

Analogs

35017940
35017940
35017941
35017941
35017942
35017942

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aS,8aS)-N-[3-[[(2S)-tetrahydrofuran-2-yl]methoxy]propyl]decalin-2-amine (2S,4aS,8aS)-N-[3-[[(2S)-tetrahy…

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) 3.54 8.21 -40.77 2 3 1 35 296.475 7 ↓

Parameters Provided:

ring.id = 15191
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 = 15191 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=15191&filter.purchasability=annotated

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