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

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R,5R,6R)-6-bicyclo[3.2.0]hept-3-enyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4R)-N-[(1R,5R,6R)-6-bicyclo[3.2…

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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) 1.49 7.59 -37.52 2 3 1 34 244.362 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R,5R,6R)-6-bicyclo[3.2.0]hept-3-enyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4S)-N-[(1R,5R,6R)-6-bicyclo[3.2…

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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) 1.49 7.5 -37.93 2 3 1 34 244.362 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R,5R,6S)-6-bicyclo[3.2.0]hept-3-enyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4R)-N-[(1R,5R,6S)-6-bicyclo[3.2…

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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) 1.49 7.22 -39.98 2 3 1 34 244.362 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R,5R,6S)-6-bicyclo[3.2.0]hept-3-enyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4S)-N-[(1R,5R,6S)-6-bicyclo[3.2…

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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) 1.49 7.37 -39.62 2 3 1 34 244.362 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-[[(1R,5R,6R)-6-bicyclo[3.2.0]hept-3-enyl]amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4S)-4-[[(1R,5R,6R)-6-bicyclo…

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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) 0.85 4.98 -40.08 3 4 1 55 274.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-[[(1R,5R,6R)-6-bicyclo[3.2.0]hept-3-enyl]amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4R)-4-[[(1R,5R,6R)-6-bicyclo…

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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) 0.85 5.11 -39.5 3 4 1 55 274.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-[[(1R,5R,6S)-6-bicyclo[3.2.0]hept-3-enyl]amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4S)-4-[[(1R,5R,6S)-6-bicyclo…

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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) 0.85 4.84 -41.83 3 4 1 55 274.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-[[(1R,5R,6S)-6-bicyclo[3.2.0]hept-3-enyl]amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4R)-4-[[(1R,5R,6S)-6-bicyclo…

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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) 0.85 4.74 -42.06 3 4 1 55 274.388 4 ↓

Parameters Provided:

ring.id = 561125
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 = 561125 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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