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

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-[[(1S)-2-(2-furyl)-1-methyl-ethyl]amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4R)-4-[[(1S)-2-(2-furyl)-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) 0.74 3.64 -37.97 3 5 1 68 290.387 6 ↓
Hi High (pH 8-9.5) 0.74 3.06 -7.33 2 5 0 63 289.379 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-[[(1R)-2-(2-furyl)-1-methyl-ethyl]amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4R)-4-[[(1R)-2-(2-furyl)-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) 0.74 4.38 -40.32 3 5 1 68 290.387 6 ↓
Hi High (pH 8-9.5) 0.74 3.45 -7.93 2 5 0 63 289.379 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-[[(1S)-2-(2-furyl)-1-methyl-ethyl]amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4S)-4-[[(1S)-2-(2-furyl)-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) 0.74 4.43 -39.24 3 5 1 68 290.387 6 ↓
Hi High (pH 8-9.5) 0.74 3.47 -7.67 2 5 0 63 289.379 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-[[(1R)-2-(2-furyl)-1-methyl-ethyl]amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4S)-4-[[(1R)-2-(2-furyl)-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) 0.74 3.57 -40.04 3 5 1 68 290.387 6 ↓
Hi High (pH 8-9.5) 0.74 3.19 -8.71 2 5 0 63 289.379 6 ↓

Parameters Provided:

ring.id = 269555
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 = 269555 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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