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

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Popular Name: isopropoxy-phenyl-(3-pyridyl)BLAH isopropoxy-phenyl-(3-pyridyl)BLAH

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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) 4.59 9.74 -10.82 0 6 0 66 401.495 4 ↓

Analogs

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Popular Name: isopropoxy-phenyl-(3-pyridyl)BLAH isopropoxy-phenyl-(3-pyridyl)BLAH

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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) 4.59 9.8 -12.25 0 6 0 66 401.495 4 ↓

Analogs

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Popular Name: Sinalbin B Sinalbin B

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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) 2.91 6.28 -6.96 0 3 0 27 264.375 2 ↓

Analogs

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Popular Name: Sinalbin A Sinalbin A

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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) 1.38 3.46 -15.38 0 4 0 44 280.374 2 ↓

Analogs

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Popular Name: Sinalbin A Sinalbin A

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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) 1.38 3.26 -15.27 0 4 0 44 280.374 2 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-[[(2S)-tetrahydrofuran-2-yl]methyl]BLAHamine N-(2-methoxyethyl)-[[(2S)-tetrah…

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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) -1.42 6.01 -35.4 1 7 1 65 402.496 6 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-[[(2R)-tetrahydrofuran-2-yl]methyl]BLAHamine N-(2-methoxyethyl)-[[(2R)-tetrah…

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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) -1.42 5.78 -31.31 1 7 1 65 402.496 6 ↓

Analogs

539962
539962

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Popular Name: 7-nitro-2-phenyl-9H-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-ol 7-nitro-2-phenyl-9H-[1,2,4]triaz…

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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) 3.09 6.24 -11.06 1 7 0 97 326.337 2 ↓

Analogs

539961
539961

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Popular Name: 7-nitro-2-phenyl-9H-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-ol 7-nitro-2-phenyl-9H-[1,2,4]triaz…

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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) 3.09 6.47 -11.4 1 7 0 97 326.337 2 ↓

Analogs

541408
541408

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Popular Name: 2-methyl-7-nitro-9H-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-ol 2-methyl-7-nitro-9H-[1,2,4]triaz…

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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) 1.06 3.21 -10.07 1 7 0 97 264.266 1 ↓

Analogs

541407
541407

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Popular Name: 2-methyl-7-nitro-9H-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-ol 2-methyl-7-nitro-9H-[1,2,4]triaz…

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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) 1.06 3.42 -10.32 1 7 0 97 264.266 1 ↓

Analogs

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Popular Name: (4S)-2-amino-6-(m-tolyl)-4-phenyl-4H-pyrrolo[3,4-e][1,3]thiazine-5,7-quinone (4S)-2-amino-6-(m-tolyl)-4-pheny…

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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) 2.72 7.09 -8.01 2 5 0 77 349.415 2 ↓
Hi High (pH 8-9.5) 2.72 7.11 -36.74 1 5 -1 75 348.407 2 ↓
Mid Mid (pH 6-8) 2.72 8.07 -37.97 3 5 1 79 350.423 2 ↓

Analogs

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Popular Name: (4R)-2-amino-6-(m-tolyl)-4-phenyl-4H-pyrrolo[3,4-e][1,3]thiazine-5,7-quinone (4R)-2-amino-6-(m-tolyl)-4-pheny…

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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) 2.72 7.27 -7.91 2 5 0 77 349.415 2 ↓
Hi High (pH 8-9.5) 2.72 7.3 -36.58 1 5 -1 75 348.407 2 ↓
Mid Mid (pH 6-8) 2.72 8.06 -38 3 5 1 79 350.423 2 ↓

Parameters Provided:

ring.id = 50171
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 = 50171 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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