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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (4S)-N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]isothiochroman-4-amine (4S)-N-[(1S)-2-imidazol-1-yl-1-m…

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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) 2.00 9.14 -45.96 2 3 1 34 274.413 4 ↓
Hi High (pH 8-9.5) 2.00 8.39 -8.29 1 3 0 30 273.405 4 ↓
Lo Low (pH 4.5-6) 2.00 9.66 -107.9 3 3 2 36 275.421 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]isothiochroman-4-amine (4S)-N-[(1R)-2-imidazol-1-yl-1-m…

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) 2.00 9.56 -46.11 2 3 1 34 274.413 4 ↓
Hi High (pH 8-9.5) 2.00 8.75 -8.36 1 3 0 30 273.405 4 ↓
Lo Low (pH 4.5-6) 2.00 10.07 -109.33 3 3 2 36 275.421 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]isothiochroman-4-amine (4R)-N-[(1S)-2-imidazol-1-yl-1-m…

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) 2.00 9.83 -46.33 2 3 1 34 274.413 4 ↓
Hi High (pH 8-9.5) 2.00 9.11 -7.16 1 3 0 30 273.405 4 ↓
Lo Low (pH 4.5-6) 2.00 10.34 -106.68 3 3 2 36 275.421 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]isothiochroman-4-amine (4R)-N-[(1R)-2-imidazol-1-yl-1-m…

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) 2.00 8.88 -45.33 2 3 1 34 274.413 4 ↓
Hi High (pH 8-9.5) 2.00 8.62 -7.8 1 3 0 30 273.405 4 ↓
Lo Low (pH 4.5-6) 2.00 9.39 -111.93 3 3 2 36 275.421 4 ↓

Parameters Provided:

ring.id = 564440
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 = 564440 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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