UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35016585
35016585

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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) 2.71 7.37 -32.98 1 4 -1 57 329.323 4 ↓
Mid Mid (pH 6-8) 3.46 8.47 -10.24 2 4 0 50 330.331 5 ↓

Analogs

35016583
35016583

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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) 2.71 7.37 -32.09 1 4 -1 57 329.323 4 ↓
Mid Mid (pH 6-8) 3.46 8.47 -10.3 2 4 0 50 330.331 5 ↓

Analogs

35016786
35016786

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Popular Name: (4-chlorophenyl)methyl (4-chlorophenyl)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) 2.76 7.63 -31.81 1 4 -1 57 327.788 4 ↓
Mid Mid (pH 6-8) 3.51 8.72 -10.55 2 4 0 50 328.796 5 ↓

Analogs

35016784
35016784

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Popular Name: (4-chlorophenyl)methyl (4-chlorophenyl)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) 2.76 7.63 -31.81 1 4 -1 57 327.788 4 ↓
Mid Mid (pH 6-8) 3.51 8.72 -10.55 2 4 0 50 328.796 5 ↓

Analogs

35016795
35016795

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Popular Name: (5-chloro-2-methoxy-phenyl)methyl (5-chloro-2-methoxy-phenyl)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) 2.75 6.94 -34.83 1 5 -1 66 357.814 5 ↓
Mid Mid (pH 6-8) 3.50 8.03 -11.01 2 5 0 60 358.822 6 ↓

Analogs

35016793
35016793

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Popular Name: (5-chloro-2-methoxy-phenyl)methyl (5-chloro-2-methoxy-phenyl)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) 2.75 6.94 -34.85 1 5 -1 66 357.814 5 ↓
Mid Mid (pH 6-8) 3.50 8.04 -11.03 2 5 0 60 358.822 6 ↓

Analogs

35016918
35016918

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Popular Name: (3,5-difluorophenyl)methyl (3,5-difluorophenyl)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) 2.34 7.24 -31.39 1 4 -1 57 329.323 4 ↓
Mid Mid (pH 6-8) 3.09 8.34 -11.06 2 4 0 50 330.331 5 ↓

Analogs

35016916
35016916

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Popular Name: (3,5-difluorophenyl)methyl (3,5-difluorophenyl)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) 2.34 7.24 -31.41 1 4 -1 57 329.323 4 ↓
Mid Mid (pH 6-8) 3.09 8.34 -11.06 2 4 0 50 330.331 5 ↓

Analogs

35016954
35016954

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Popular Name: (5-chloro-2-nitro-phenyl)methyl (5-chloro-2-nitro-phenyl)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) 2.65 8.15 -35.38 1 7 -1 103 372.785 5 ↓
Mid Mid (pH 6-8) 3.40 9.26 -12.48 2 7 0 96 373.793 6 ↓

Analogs

35016952
35016952

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Popular Name: (5-chloro-2-nitro-phenyl)methyl (5-chloro-2-nitro-phenyl)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) 2.65 8.15 -35.4 1 7 -1 103 372.785 5 ↓
Mid Mid (pH 6-8) 3.40 9.26 -12.45 2 7 0 96 373.793 6 ↓

Analogs

35016959
35016959

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Popular Name: (2-chloro-4-fluoro-phenyl)methyl (2-chloro-4-fluoro-phenyl)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) 2.85 7.63 -31.19 1 4 -1 57 345.778 4 ↓
Mid Mid (pH 6-8) 3.60 8.73 -10.56 2 4 0 50 346.786 5 ↓

Analogs

35016956
35016956

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Popular Name: (2-chloro-4-fluoro-phenyl)methyl (2-chloro-4-fluoro-phenyl)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) 2.85 7.63 -31.17 1 4 -1 57 345.778 4 ↓
Mid Mid (pH 6-8) 3.60 8.73 -10.57 2 4 0 50 346.786 5 ↓

Analogs

35016971
35016971

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Popular Name: (2-chloro-5-nitro-phenyl)methyl (2-chloro-5-nitro-phenyl)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) 2.65 8.28 -35.63 1 7 -1 103 372.785 5 ↓
Mid Mid (pH 6-8) 3.40 9.37 -13.32 2 7 0 96 373.793 6 ↓

Analogs

35016969
35016969

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Popular Name: (2-chloro-5-nitro-phenyl)methyl (2-chloro-5-nitro-phenyl)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) 2.65 8.28 -35.61 1 7 -1 103 372.785 5 ↓
Mid Mid (pH 6-8) 3.40 9.38 -13.33 2 7 0 96 373.793 6 ↓

Analogs

35016988
35016988

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Popular Name: (3,5-dichlorophenyl)methyl (3,5-dichlorophenyl)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) 3.37 8.12 -31.06 1 4 -1 57 362.233 4 ↓
Mid Mid (pH 6-8) 4.12 9.21 -10.3 2 4 0 50 363.241 5 ↓

Analogs

35016986
35016986

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Popular Name: (3,5-dichlorophenyl)methyl (3,5-dichlorophenyl)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) 3.37 8.12 -31.08 1 4 -1 57 362.233 4 ↓
Mid Mid (pH 6-8) 4.12 9.21 -10.3 2 4 0 50 363.241 5 ↓

Analogs

35016996
35016996

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Popular Name: (3,4,5-trifluorophenyl)methyl (3,4,5-trifluorophenyl)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) 2.43 7.29 -32.22 1 4 -1 57 347.313 4 ↓
Mid Mid (pH 6-8) 3.18 8.39 -13.81 2 4 0 50 348.321 5 ↓

Analogs

35016994
35016994

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Popular Name: (3,4,5-trifluorophenyl)methyl (3,4,5-trifluorophenyl)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) 2.43 7.29 -32.22 1 4 -1 57 347.313 4 ↓
Mid Mid (pH 6-8) 3.18 8.39 -13.81 2 4 0 50 348.321 5 ↓

Analogs

35017199
35017199

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Popular Name: (3,5-dichlorophenyl)methyl (3,5-dichlorophenyl)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) 2.43 5.54 -39.74 1 7 -1 100 438.334 6 ↓
Mid Mid (pH 6-8) 3.18 6.63 -19.08 2 7 0 94 439.342 7 ↓

Analogs

35017197
35017197

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Popular Name: (3,5-dichlorophenyl)methyl (3,5-dichlorophenyl)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) 2.43 5.54 -35.02 1 7 -1 100 438.334 6 ↓
Mid Mid (pH 6-8) 3.18 6.63 -17.72 2 7 0 94 439.342 7 ↓

Parameters Provided:

ring.id = 14728
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 = 14728 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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