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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44518267
44518267
44518268
44518268
44518633
44518633
44518634
44518634

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-furylmethyl)-2-[[(3S)-quinuclidin-3-yl]amino]propanamide (2R)-N-(2-furylmethyl)-2-[[(3S)-…

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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) 0.84 5.16 -108.68 4 5 2 63 279.384 5 ↓
Hi High (pH 8-9.5) 0.84 1.72 -8.81 2 5 0 58 277.368 5 ↓
Hi High (pH 8-9.5) 0.84 4.13 -39.75 3 5 1 59 278.376 5 ↓

Analogs

44518267
44518267
44518268
44518268
44518633
44518633
44518634
44518634

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-furylmethyl)-2-[[(3S)-quinuclidin-3-yl]amino]propanamide (2S)-N-(2-furylmethyl)-2-[[(3S)-…

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) 0.84 4.99 -111.21 4 5 2 63 279.384 5 ↓
Hi High (pH 8-9.5) 0.84 1.48 -7.17 2 5 0 58 277.368 5 ↓
Hi High (pH 8-9.5) 0.84 3.9 -40.7 3 5 1 59 278.376 5 ↓

Analogs

44518267
44518267
44518268
44518268
44518633
44518633
44518634
44518634

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-furylmethyl)-2-[[(3R)-quinuclidin-3-yl]amino]propanamide (2R)-N-(2-furylmethyl)-2-[[(3R)-…

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) 0.84 4.99 -111.1 4 5 2 63 279.384 5 ↓
Hi High (pH 8-9.5) 0.84 1.45 -8.73 2 5 0 58 277.368 5 ↓
Hi High (pH 8-9.5) 0.84 3.87 -46.01 3 5 1 59 278.376 5 ↓

Analogs

44518267
44518267
44518268
44518268
44518633
44518633
44518634
44518634

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-furylmethyl)-2-[[(3R)-quinuclidin-3-yl]amino]propanamide (2S)-N-(2-furylmethyl)-2-[[(3R)-…

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) 0.84 5.17 -108.05 4 5 2 63 279.384 5 ↓
Hi High (pH 8-9.5) 0.84 1.59 -7.35 2 5 0 58 277.368 5 ↓
Hi High (pH 8-9.5) 0.84 4.01 -41.03 3 5 1 59 278.376 5 ↓

Parameters Provided:

ring.id = 71810
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 = 71810 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=71810&filter.purchasability=annotated

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