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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: (2S)-N-[(4R)-chroman-4-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]prop (2S)-N-[(4R)-chroman-4-yl]-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) -0.10 6.31 -55.37 3 7 1 86 342.423 4 ↓
Mid Mid (pH 6-8) -0.10 5.27 -13.28 2 7 0 81 341.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(4R)-chroman-4-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]prop (2R)-N-[(4R)-chroman-4-yl]-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) -0.10 6.3 -57.24 3 7 1 86 342.423 4 ↓
Mid Mid (pH 6-8) -0.10 5.35 -13.54 2 7 0 81 341.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(4S)-chroman-4-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]prop (2S)-N-[(4S)-chroman-4-yl]-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) -0.10 6.31 -55.33 3 7 1 86 342.423 4 ↓
Mid Mid (pH 6-8) -0.10 5.27 -13.07 2 7 0 81 341.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(4S)-chroman-4-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]prop (2R)-N-[(4S)-chroman-4-yl]-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) -0.10 6.3 -56.91 3 7 1 86 342.423 4 ↓
Mid Mid (pH 6-8) -0.10 5.35 -13.76 2 7 0 81 341.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4R)-chroman-4-yl]-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino] N-[(4R)-chroman-4-yl]-2-[[(6R)-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) 0.16 5.65 -60.63 3 7 1 86 342.423 4 ↓
Mid Mid (pH 6-8) 0.16 4.48 -15.27 2 7 0 81 341.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4R)-chroman-4-yl]-2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino] N-[(4R)-chroman-4-yl]-2-[[(6S)-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) 0.16 5.65 -60.54 3 7 1 86 342.423 4 ↓
Mid Mid (pH 6-8) 0.16 4.51 -14.61 2 7 0 81 341.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4S)-chroman-4-yl]-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino] N-[(4S)-chroman-4-yl]-2-[[(6R)-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) 0.16 5.65 -60.56 3 7 1 86 342.423 4 ↓
Mid Mid (pH 6-8) 0.16 4.48 -14.96 2 7 0 81 341.415 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4S)-chroman-4-yl]-2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino] N-[(4S)-chroman-4-yl]-2-[[(6S)-2…

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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) 0.16 5.65 -60.64 3 7 1 86 342.423 4 ↓
Mid Mid (pH 6-8) 0.16 4.5 -14.66 2 7 0 81 341.415 4 ↓

Parameters Provided:

ring.id = 378205
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 = 378205 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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