UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37781484
37781484
37781485
37781485
37781486
37781486
37781487
37781487

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Popular Name: 3-imidazol-1-yl-N-[(1S,2R)-2-methoxycyclohexyl]aniline 3-imidazol-1-yl-N-[(1S,2R)-2-met…

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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) 3.35 8.41 -6.92 1 4 0 39 271.364 4 ↓
Mid Mid (pH 6-8) 3.35 8.92 -30.64 2 4 1 40 272.372 4 ↓

Analogs

37781484
37781484
37781485
37781485
37781486
37781486
37781487
37781487

Draw Identity 99% 90% 80% 70%

Popular Name: 3-imidazol-1-yl-N-[(1S,2S)-2-methoxycyclohexyl]aniline 3-imidazol-1-yl-N-[(1S,2S)-2-met…

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) 3.35 8.11 -6.87 1 4 0 39 271.364 4 ↓
Mid Mid (pH 6-8) 3.35 8.62 -31.37 2 4 1 40 272.372 4 ↓

Analogs

37781484
37781484
37781485
37781485
37781486
37781486
37781487
37781487

Draw Identity 99% 90% 80% 70%

Popular Name: 3-imidazol-1-yl-N-[(1R,2R)-2-methoxycyclohexyl]aniline 3-imidazol-1-yl-N-[(1R,2R)-2-met…

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) 3.35 8.1 -6.87 1 4 0 39 271.364 4 ↓
Mid Mid (pH 6-8) 3.35 8.62 -31.35 2 4 1 40 272.372 4 ↓

Analogs

37781484
37781484
37781485
37781485
37781486
37781486
37781487
37781487

Draw Identity 99% 90% 80% 70%

Popular Name: 3-imidazol-1-yl-N-[(1R,2S)-2-methoxycyclohexyl]aniline 3-imidazol-1-yl-N-[(1R,2S)-2-met…

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) 3.35 8.41 -6.9 1 4 0 39 271.364 4 ↓
Mid Mid (pH 6-8) 3.35 8.92 -30.66 2 4 1 40 272.372 4 ↓

Parameters Provided:

ring.id = 554241
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 = 554241 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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