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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-1-[2-[ethyl-[(3-fluorophenyl)methyl]amino]acetyl]-2-(trifluoromethyl)-3,5-dihydro-2H-1,5-benzod (2R)-1-[2-[ethyl-[(3-fluoropheny…

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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) 4.70 10.57 -43.4 2 5 1 54 424.418 6 ↓
Mid Mid (pH 6-8) 4.70 8.43 -12.06 1 5 0 53 423.41 6 ↓

Analogs

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Popular Name: (2S)-1-[2-[ethyl-[(3-fluorophenyl)methyl]amino]acetyl]-2-(trifluoromethyl)-3,5-dihydro-2H-1,5-benzod (2S)-1-[2-[ethyl-[(3-fluoropheny…

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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) 4.70 10.55 -46.46 2 5 1 54 424.418 6 ↓
Mid Mid (pH 6-8) 4.70 8.42 -15.25 1 5 0 53 423.41 6 ↓

Analogs

12855544
12855544

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Popular Name: (4S)-4-methyl-5-[2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]acetyl]-3,4-dihydro-1H-1,5-benzodia (4S)-4-methyl-5-[2-[methyl-[(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) 3.43 8.93 -47.31 2 8 1 82 428.509 7 ↓

Analogs

12855539
12855539

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Popular Name: (4R)-4-methyl-5-[2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]acetyl]-3,4-dihydro-1H-1,5-benzodia (4R)-4-methyl-5-[2-[methyl-[(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) 3.43 8.88 -48.92 2 8 1 82 428.509 7 ↓

Analogs

13009064
13009064

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Popular Name: (4S)-5-[2-[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzod (4S)-5-[2-[(3-fluoro-4-methoxy-p…

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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) 3.75 8.81 -52.7 2 6 1 63 386.447 5 ↓
Mid Mid (pH 6-8) 2.72 4.14 -17.69 1 6 0 65 385.439 5 ↓
Mid Mid (pH 6-8) 3.75 6.57 -18.4 1 6 0 62 385.439 5 ↓

Analogs

13009063
13009063

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Popular Name: (4R)-5-[2-[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzod (4R)-5-[2-[(3-fluoro-4-methoxy-p…

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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) 3.75 8.81 -51.15 2 6 1 63 386.447 5 ↓
Mid Mid (pH 6-8) 3.75 6.56 -16.96 1 6 0 62 385.439 5 ↓
Mid Mid (pH 6-8) 2.72 4.16 -17.69 1 6 0 65 385.439 5 ↓

Analogs

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Popular Name: (4R)-5-[2-(benzylamino)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (4R)-5-[2-(benzylamino)acetyl]-4…

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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) 3.36 6.25 -13.33 2 5 0 61 323.396 4 ↓

Analogs

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Popular Name: (4S)-5-[2-(benzylamino)acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one (4S)-5-[2-(benzylamino)acetyl]-4…

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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) 3.36 6.26 -13.93 2 5 0 61 323.396 4 ↓

Parameters Provided:

ring.id = 95388
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 = 95388 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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