UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(1S)-1-(2,5-difluorophenyl)ethyl] [(1S)-1-(2,5-difluorophenyl)ethyl]

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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) 3.86 9.26 -37.27 0 5 -1 67 375.376 4 ↓
Mid Mid (pH 6-8) 3.40 10.53 -10.91 1 5 0 64 376.384 4 ↓

Analogs

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Popular Name: [(1R)-1-(2,5-difluorophenyl)ethyl] [(1R)-1-(2,5-difluorophenyl)ethyl]

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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) 3.86 9.26 -37.27 0 5 -1 67 375.376 4 ↓
Mid Mid (pH 6-8) 3.40 10.54 -10.92 1 5 0 64 376.384 4 ↓

Analogs

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Popular Name: [(1S)-1-(3-fluorophenyl)ethyl] [(1S)-1-(3-fluorophenyl)ethyl]

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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) 3.74 9.24 -37.19 0 5 -1 67 357.386 4 ↓
Mid Mid (pH 6-8) 3.28 10.5 -11.62 1 5 0 64 358.394 4 ↓

Analogs

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Popular Name: [(1R)-1-(3-fluorophenyl)ethyl] [(1R)-1-(3-fluorophenyl)ethyl]

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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) 3.74 9.23 -37.32 0 5 -1 67 357.386 4 ↓
Mid Mid (pH 6-8) 3.28 10.5 -11.64 1 5 0 64 358.394 4 ↓

Analogs

12427758
12427758

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Popular Name: benzyl benzyl

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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) 3.24 8.51 -36.5 0 5 -1 67 325.369 4 ↓
Mid Mid (pH 6-8) 2.78 9.77 -10.17 1 5 0 64 326.377 4 ↓

Analogs

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Popular Name: benzyl benzyl

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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) 3.61 9.54 -36.76 0 5 -1 67 339.396 5 ↓
Mid Mid (pH 6-8) 3.16 10.82 -9.82 1 5 0 64 340.404 5 ↓

Analogs

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Popular Name: (2-fluorophenyl)methyl (2-fluorophenyl)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) 3.35 8.58 -38 0 5 -1 67 343.359 4 ↓
Mid Mid (pH 6-8) 2.90 9.85 -12.04 1 5 0 64 344.367 4 ↓

Analogs

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Popular Name: (2-fluorophenyl)methyl (2-fluorophenyl)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) 3.73 9.62 -38.27 0 5 -1 67 357.386 5 ↓
Mid Mid (pH 6-8) 3.27 10.9 -11.77 1 5 0 64 358.394 5 ↓

Analogs

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Popular Name: (4-fluorophenyl)methyl (4-fluorophenyl)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) 3.40 8.58 -36.51 0 5 -1 67 343.359 4 ↓
Mid Mid (pH 6-8) 2.94 9.84 -11.11 1 5 0 64 344.367 4 ↓

Analogs

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Popular Name: (4-fluorophenyl)methyl (4-fluorophenyl)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) 3.78 9.61 -36.67 0 5 -1 67 357.386 5 ↓
Mid Mid (pH 6-8) 3.32 10.89 -10.78 1 5 0 64 358.394 5 ↓

Analogs

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Popular Name: (3-fluorophenyl)methyl (3-fluorophenyl)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) 3.38 8.58 -37.1 0 5 -1 67 343.359 4 ↓
Mid Mid (pH 6-8) 2.92 9.84 -11.3 1 5 0 64 344.367 4 ↓

Parameters Provided:

ring.id = 379019
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 = 379019 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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