UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36541287
36541287

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Popular Name: N-[(1S)-1-(1,3-benzodioxol-5-yl)-2-(cyclohexylamino)-2-oxo-ethyl]-N-(2-chlorophenyl)-3-methyl-butana N-[(1S)-1-(1,3-benzodioxol-5-yl)…

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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) 5.46 11.41 -14.15 1 6 0 68 470.997 7 ↓

Analogs

36541286
36541286

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Popular Name: N-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(cyclohexylamino)-2-oxo-ethyl]-N-(2-chlorophenyl)-3-methyl-butana N-[(1R)-1-(1,3-benzodioxol-5-yl)…

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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) 5.46 11.85 -12.62 1 6 0 68 470.997 7 ↓

Analogs

36542408
36542408
36542409
36542409
36542410
36542410

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Popular Name: (Z)-N-[(1S)-1-(1,3-benzodioxol-5-yl)-2-(cyclohexylamino)-2-oxo-ethyl]-N-(2-chlorophenyl)oct-2-enamid (Z)-N-[(1S)-1-(1,3-benzodioxol-5…

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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) 7.68 13.99 -9.12 1 6 0 68 511.062 10 ↓

Analogs

36542409
36542409
36542410
36542410
36542407
36542407

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Popular Name: (E)-N-[(1S)-1-(1,3-benzodioxol-5-yl)-2-(cyclohexylamino)-2-oxo-ethyl]-N-(2-chlorophenyl)oct-2-enamid (E)-N-[(1S)-1-(1,3-benzodioxol-5…

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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) 7.68 14.01 -9.79 1 6 0 68 511.062 10 ↓

Analogs

36542410
36542410
36542407
36542407
36542408
36542408

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Popular Name: (Z)-N-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(cyclohexylamino)-2-oxo-ethyl]-N-(2-chlorophenyl)oct-2-enamid (Z)-N-[(1R)-1-(1,3-benzodioxol-5…

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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) 7.68 14.29 -9.93 1 6 0 68 511.062 10 ↓

Analogs

36542407
36542407
36542408
36542408
36542409
36542409

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Popular Name: (E)-N-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(cyclohexylamino)-2-oxo-ethyl]-N-(2-chlorophenyl)oct-2-enamid (E)-N-[(1R)-1-(1,3-benzodioxol-5…

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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) 7.68 14.24 -10.26 1 6 0 68 511.062 10 ↓

Analogs

36542809
36542809
36542810
36542810
36542811
36542811
36541018
36541018
36541019
36541019

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Popular Name: (2R)-N-[(1S)-1-(1,3-benzodioxol-5-yl)-2-(cyclohexylamino)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-ethyl-he (2R)-N-[(1S)-1-(1,3-benzodioxol-…

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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) 7.67 13.93 -8.55 1 6 0 68 513.078 10 ↓

Analogs

36542810
36542810
36542811
36542811
36541018
36541018
36541019
36541019
36541022
36541022

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Popular Name: (2S)-N-[(1S)-1-(1,3-benzodioxol-5-yl)-2-(cyclohexylamino)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-ethyl-he (2S)-N-[(1S)-1-(1,3-benzodioxol-…

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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) 7.67 13.12 -9.19 1 6 0 68 513.078 10 ↓

Analogs

36542811
36542811
36541018
36541018
36541019
36541019
36541022
36541022
36541023
36541023

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Popular Name: (2R)-N-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(cyclohexylamino)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-ethyl-he (2R)-N-[(1R)-1-(1,3-benzodioxol-…

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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) 7.67 13.92 -10.11 1 6 0 68 513.078 10 ↓

Analogs

36541018
36541018
36541019
36541019
36542808
36542808
36542809
36542809
36542810
36542810

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Popular Name: (2S)-N-[(1R)-1-(1,3-benzodioxol-5-yl)-2-(cyclohexylamino)-2-oxo-ethyl]-N-(2-chlorophenyl)-2-ethyl-he (2S)-N-[(1R)-1-(1,3-benzodioxol-…

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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) 7.67 13.57 -9.84 1 6 0 68 513.078 10 ↓

Parameters Provided:

ring.id = 98406
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 = 98406 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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