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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: (4R)-1-methyl-N-(thiazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine (4R)-1-methyl-N-(thiazol-5-ylmet…

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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) 0.54 4.75 -45.71 2 4 1 47 249.363 3 ↓
Hi High (pH 8-9.5) 0.54 3.35 -9.59 1 4 0 43 248.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-methyl-N-(thiazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine (4S)-1-methyl-N-(thiazol-5-ylmet…

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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) 0.54 4.76 -45.74 2 4 1 47 249.363 3 ↓
Hi High (pH 8-9.5) 0.54 3.38 -8.15 1 4 0 43 248.355 3 ↓

Analogs

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Popular Name: 2-[(4R)-4-(thiazol-5-ylmethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4R)-4-(thiazol-5-ylmethylami…

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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) -0.09 2.25 -47.82 3 5 1 68 279.389 5 ↓
Hi High (pH 8-9.5) -0.09 0.87 -8.82 2 5 0 63 278.381 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-(thiazol-5-ylmethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4S)-4-(thiazol-5-ylmethylami…

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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) -0.09 2.24 -47.95 3 5 1 68 279.389 5 ↓
Hi High (pH 8-9.5) -0.09 0.86 -9.49 2 5 0 63 278.381 5 ↓

Analogs

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Popular Name: (4R)-1-methyl-N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine (4R)-1-methyl-N-[(1R)-1-(4-methy…

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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) 1.33 5.73 -42.66 2 4 1 47 277.417 3 ↓
Hi High (pH 8-9.5) 1.33 4.7 -9.07 1 4 0 43 276.409 3 ↓
Lo Low (pH 4.5-6) 1.33 5.9 -103.4 3 4 2 49 278.425 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-1-methyl-N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine (4R)-1-methyl-N-[(1S)-1-(4-methy…

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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) 1.33 4.94 -42 2 4 1 47 277.417 3 ↓
Hi High (pH 8-9.5) 1.33 4.49 -8.35 1 4 0 43 276.409 3 ↓
Lo Low (pH 4.5-6) 1.33 5.11 -104.36 3 4 2 49 278.425 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-methyl-N-[(1R)-1-(4-methylthiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine (4S)-1-methyl-N-[(1R)-1-(4-methy…

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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) 1.33 4.91 -42.2 2 4 1 47 277.417 3 ↓
Hi High (pH 8-9.5) 1.33 4.41 -10.16 1 4 0 43 276.409 3 ↓
Lo Low (pH 4.5-6) 1.33 5.07 -104.6 3 4 2 49 278.425 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-methyl-N-[(1S)-1-(4-methylthiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine (4S)-1-methyl-N-[(1S)-1-(4-methy…

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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) 1.33 5.74 -42.58 2 4 1 47 277.417 3 ↓
Hi High (pH 8-9.5) 1.33 4.73 -8.59 1 4 0 43 276.409 3 ↓
Lo Low (pH 4.5-6) 1.33 5.9 -103.16 3 4 2 49 278.425 3 ↓

Analogs

37797609
37797609
37797610
37797610

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-[[(1R)-1-(4-methylthiazol-5-yl)ethyl]amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4R)-4-[[(1R)-1-(4-methylthia…

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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) 0.69 3.24 -44.74 3 5 1 68 307.443 5 ↓
Hi High (pH 8-9.5) 0.69 2.21 -9.68 2 5 0 63 306.435 5 ↓

Analogs

37797609
37797609
37797610
37797610

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-4-[[(1S)-1-(4-methylthiazol-5-yl)ethyl]amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4R)-4-[[(1S)-1-(4-methylthia…

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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) 0.69 2.45 -44.15 3 5 1 68 307.443 5 ↓
Hi High (pH 8-9.5) 0.69 2.01 -8.8 2 5 0 63 306.435 5 ↓

Analogs

37797609
37797609
37797610
37797610

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-[[(1R)-1-(4-methylthiazol-5-yl)ethyl]amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4S)-4-[[(1R)-1-(4-methylthia…

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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) 0.69 2.43 -44.58 3 5 1 68 307.443 5 ↓
Hi High (pH 8-9.5) 0.69 1.92 -10.48 2 5 0 63 306.435 5 ↓

Analogs

37797609
37797609
37797610
37797610

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-[[(1S)-1-(4-methylthiazol-5-yl)ethyl]amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4S)-4-[[(1S)-1-(4-methylthia…

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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) 0.69 3.25 -44.77 3 5 1 68 307.443 5 ↓
Hi High (pH 8-9.5) 0.69 2.24 -8.93 2 5 0 63 306.435 5 ↓

Parameters Provided:

ring.id = 153711
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 = 153711 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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