UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 101418-00-2; D07207; Policresulen (INN) 101418-00-2; D07207; Policresule…

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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) -2.98 -3.08 -225.17 3 12 -3 232 585.61 7 ↓

Analogs

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Popular Name: 4-[[3-[(2,4-dihydroxy-3,5-dimethyl-phenyl)methyl]-2-hydroxy-5-methyl-phenyl]methyl]-2,6-dimethyl-ben 4-[[3-[(2,4-dihydroxy-3,5-dimeth…

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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) 6.43 3.38 -10.61 5 5 0 101 408.494 4 ↓
Mid Mid (pH 6-8) 6.43 4.04 -47.39 4 5 -1 104 407.486 4 ↓

Analogs

32149062
32149062

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Popular Name: 2,6-dicumylphenol 2,6-dicumylphenol

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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) 6.40 2.89 -3.24 1 1 0 20 330.471 4 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,4-dibenzyl-3-methoxy-phenyl)-3-oxo-propyl]formamide N-[(1R)-1-(2,4-dibenzyl-3-methox…

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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) 4.09 10.94 -15.29 1 4 0 55 387.479 9 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,4-dibenzyl-3-methoxy-phenyl)-3-oxo-propyl]formamide N-[(1S)-1-(2,4-dibenzyl-3-methox…

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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) 4.09 11.74 -12.45 1 4 0 55 387.479 9 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,4-dibenzyl-3-methylsulfanyl-phenyl)-3-oxo-propyl]formamide N-[(1R)-1-(2,4-dibenzyl-3-methyl…

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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) 4.46 12.49 -13.7 1 3 0 46 403.547 9 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,4-dibenzyl-3-methylsulfanyl-phenyl)-3-oxo-propyl]formamide N-[(1S)-1-(2,4-dibenzyl-3-methyl…

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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) 4.46 12.05 -14.93 1 3 0 46 403.547 9 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,4-dibenzyl-3-hydroxy-phenyl)-3-oxo-propyl]formamide N-[(1R)-1-(2,4-dibenzyl-3-hydrox…

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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) 3.81 9.28 -15.68 2 4 0 66 373.452 8 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,4-dibenzyl-3-hydroxy-phenyl)-3-oxo-propyl]formamide N-[(1S)-1-(2,4-dibenzyl-3-hydrox…

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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) 3.81 9.54 -12.05 2 4 0 66 373.452 8 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,4-dibenzyl-3-fluoro-phenyl)-3-oxo-propyl]formamide N-[(1R)-1-(2,4-dibenzyl-3-fluoro…

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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) 4.19 11.74 -16.02 1 3 0 46 375.443 8 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,4-dibenzyl-3-fluoro-phenyl)-3-oxo-propyl]formamide N-[(1S)-1-(2,4-dibenzyl-3-fluoro…

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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) 4.19 11.87 -12.29 1 3 0 46 375.443 8 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,4-dibenzyl-3-chloro-phenyl)-3-oxo-propyl]formamide N-[(1R)-1-(2,4-dibenzyl-3-chloro…

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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) 4.71 11.76 -15.42 1 3 0 46 391.898 8 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,4-dibenzyl-3-chloro-phenyl)-3-oxo-propyl]formamide N-[(1S)-1-(2,4-dibenzyl-3-chloro…

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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) 4.71 11.9 -11.74 1 3 0 46 391.898 8 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,4-dibenzyl-3-bromo-phenyl)-3-oxo-propyl]formamide N-[(1R)-1-(2,4-dibenzyl-3-bromo-…

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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) 4.84 11.78 -15.49 1 3 0 46 436.349 8 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,4-dibenzyl-3-bromo-phenyl)-3-oxo-propyl]formamide N-[(1S)-1-(2,4-dibenzyl-3-bromo-…

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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) 4.84 11.91 -11.61 1 3 0 46 436.349 8 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,4-dibenzyl-3-iodo-phenyl)-3-oxo-propyl]formamide N-[(1R)-1-(2,4-dibenzyl-3-iodo-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) 5.11 11.91 -13.05 1 3 0 46 483.349 8 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,4-dibenzyl-3-iodo-phenyl)-3-oxo-propyl]formamide N-[(1S)-1-(2,4-dibenzyl-3-iodo-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) 5.11 12.3 -14.33 1 3 0 46 483.349 8 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,4-dibenzyl-3-ethoxy-phenyl)-3-oxo-propyl]formamide N-[(1R)-1-(2,4-dibenzyl-3-ethoxy…

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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) 4.46 11.75 -15.17 1 4 0 55 401.506 10 ↓

Analogs

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Popular Name: N-[(1S)-1-(2,4-dibenzyl-3-ethoxy-phenyl)-3-oxo-propyl]formamide N-[(1S)-1-(2,4-dibenzyl-3-ethoxy…

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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) 4.46 12.68 -12.18 1 4 0 55 401.506 10 ↓

Analogs

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Popular Name: N-[(1R)-1-(2,4-dibenzyl-3-isopropylsulfonyl-phenyl)-3-oxo-propyl]formamide N-[(1R)-1-(2,4-dibenzyl-3-isopro…

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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) 4.08 10.74 -19.3 1 5 0 80 463.599 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,4-dibenzyl-3-isopropylsulfonyl-phenyl)-3-oxo-propyl]formamide N-[(1S)-1-(2,4-dibenzyl-3-isopro…

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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) 4.08 10.19 -19.34 1 5 0 80 463.599 10 ↓

Parameters Provided:

ring.id = 170462
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 = 170462 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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