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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: (1R)-1-cyclopropyl-1-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]ethanol (1R)-1-cyclopropyl-1-[(1S)-1,2,3…

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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) 2.34 4.9 -41.15 3 2 1 37 218.32 2 ↓
Mid Mid (pH 6-8) 2.34 3.71 -3.58 2 2 0 32 217.312 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-1-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]ethanol (1S)-1-cyclopropyl-1-[(1S)-1,2,3…

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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) 2.34 5.52 -38.68 3 2 1 37 218.32 2 ↓
Mid Mid (pH 6-8) 2.34 4.37 -3.17 2 2 0 32 217.312 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]ethanol (1R)-1-cyclopropyl-1-[(1R)-1,2,3…

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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) 2.34 4.32 -37.93 3 2 1 37 218.32 2 ↓
Mid Mid (pH 6-8) 2.34 3.01 -2.84 2 2 0 32 217.312 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]ethanol (1S)-1-cyclopropyl-1-[(1R)-1,2,3…

Find On: PubMed — Wikipedia — Google

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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) 2.34 5.4 -41.57 3 2 1 37 218.32 2 ↓
Mid Mid (pH 6-8) 2.34 4.38 -2.65 2 2 0 32 217.312 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-cyclopropyl-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol (R)-cyclopropyl-[(1S)-1,2,3,4-te…

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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) 1.90 4.38 -40.48 3 2 1 37 204.293 2 ↓
Mid Mid (pH 6-8) 1.90 2.96 -2.5 2 2 0 32 203.285 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-cyclopropyl-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol (R)-cyclopropyl-[(1R)-1,2,3,4-te…

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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) 1.90 4.61 -42.37 3 2 1 37 204.293 2 ↓
Mid Mid (pH 6-8) 1.90 3.24 -3.44 2 2 0 32 203.285 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-cyclopropyl-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol (S)-cyclopropyl-[(1S)-1,2,3,4-te…

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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) 1.90 4.57 -42.46 3 2 1 37 204.293 2 ↓
Mid Mid (pH 6-8) 1.90 3.51 -3.03 2 2 0 32 203.285 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-cyclopropyl-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol (S)-cyclopropyl-[(1R)-1,2,3,4-te…

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) 1.90 4.54 -39.7 3 2 1 37 204.293 2 ↓
Mid Mid (pH 6-8) 1.90 3.47 -3.19 2 2 0 32 203.285 2 ↓

Parameters Provided:

ring.id = 495418
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 = 495418 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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