UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

49086925
49086925
49086928
49086928
49086931
49086931
49086934
49086934
20454044
20454044

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Popular Name: (1S,6R)-6-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]cyclohex-3-ene-1-carboxylic (1S,6R)-6-[methyl-[(1-methylimid…

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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) 0.13 7.86 -52.43 1 6 0 80 277.324 4 ↓
Mid Mid (pH 6-8) 0.13 7.39 -45.74 0 6 -1 78 276.316 4 ↓
Lo Low (pH 4.5-6) 0.13 5.83 -30.67 2 6 1 77 278.332 4 ↓

Analogs

49086925
49086925
49086928
49086928
49086931
49086931
49086934
49086934
20454044
20454044

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,6S)-6-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]cyclohex-3-ene-1-carboxylic (1S,6S)-6-[methyl-[(1-methylimid…

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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) 0.13 8.62 -47.27 1 6 0 80 277.324 4 ↓
Mid Mid (pH 6-8) 0.13 8.11 -67.01 0 6 -1 78 276.316 4 ↓
Lo Low (pH 4.5-6) 0.13 6.6 -32.53 2 6 1 77 278.332 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,6R)-6-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]cyclohex-3-ene-1-carboxylic (1R,6R)-6-[methyl-[(1-methylimid…

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) 0.13 7.84 -63.57 1 6 0 80 277.324 4 ↓
Mid Mid (pH 6-8) 0.13 7.52 -55.42 0 6 -1 78 276.316 4 ↓
Lo Low (pH 4.5-6) 0.13 6.55 -33.53 2 6 1 77 278.332 4 ↓

Analogs

49086925
49086925
49086928
49086928
49086931
49086931
49086934
49086934
20454044
20454044

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,6S)-6-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]cyclohex-3-ene-1-carboxylic (1R,6S)-6-[methyl-[(1-methylimid…

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) 0.13 7.88 -40.63 1 6 0 80 277.324 4 ↓
Mid Mid (pH 6-8) 0.13 7.44 -54.95 0 6 -1 78 276.316 4 ↓
Lo Low (pH 4.5-6) 0.13 5.75 -29.49 2 6 1 77 278.332 4 ↓

Analogs

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Popular Name: (1R)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide (1R)-N-(2-hydroxyethyl)-N-[(1-me…

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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) 0.39 5.24 -33.08 2 5 1 60 264.349 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide (1S)-N-(2-hydroxyethyl)-N-[(1-me…

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) 0.39 5.42 -42.19 2 5 1 60 264.349 5 ↓

Parameters Provided:

ring.id = 581738
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 = 581738 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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