UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14245104
14245104
14245105
14245105
14245106
14245106

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[[(1R,2R,3R)-2,3-dimethy…

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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) 2.19 5.99 -19.1 2 9 0 120 468.572 9 ↓

Analogs

14245105
14245105
14245106
14245106
14245103
14245103

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[[(1R,2R,3S)-2,3-dimethy…

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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) 2.19 6.22 -19.08 2 9 0 120 468.572 9 ↓

Analogs

14245106
14245106
14245103
14245103
14245104
14245104

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[[(1S,2R,3R)-2,3-dimethy…

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) 2.19 5.82 -19.04 2 9 0 120 468.572 9 ↓

Analogs

14245103
14245103
14245104
14245104
14245105
14245105

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[[(1S,2R,3S)-2,3-dimethy…

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) 2.19 6.61 -18.48 2 9 0 120 468.572 9 ↓

Parameters Provided:

ring.id = 238216
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 = 238216 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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