UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4-bromophenyl)-(trifluoromethyl)BLAHone (4-bromophenyl)-(trifluoromethyl…

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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) 3.09 10.61 -12.76 0 6 0 65 410.153 2 ↓

Analogs

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Popular Name: ethyl 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) 2.83 11.57 -15.85 0 8 0 91 403.32 5 ↓

Analogs

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Popular Name: (3-methoxyphenyl)-(trifluoromethyl)BLAHone (3-methoxyphenyl)-(trifluorometh…

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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) 2.52 9.28 -13.81 0 7 0 74 361.283 3 ↓

Analogs

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Popular Name: (2-methoxyphenyl)-(trifluoromethyl)BLAHone (2-methoxyphenyl)-(trifluorometh…

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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) 2.50 9.42 -13.75 0 7 0 74 361.283 3 ↓

Analogs

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Popular Name: (3-chloro-4-fluoro-phenyl)-(trifluoromethyl)BLAHone (3-chloro-4-fluoro-phenyl)-(trif…

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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) 3.26 10.55 -14.25 0 6 0 65 383.692 2 ↓

Analogs

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Popular Name: (3,5-dimethoxyphenyl)-(trifluoromethyl)BLAHone (3,5-dimethoxyphenyl)-(trifluoro…

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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) 2.74 8.59 -14.25 0 8 0 84 391.309 4 ↓

Analogs

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Popular Name: (2,5-dimethoxyphenyl)-(trifluoromethyl)BLAHone (2,5-dimethoxyphenyl)-(trifluoro…

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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) 2.74 8.7 -14.52 0 8 0 84 391.309 4 ↓

Analogs

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Popular Name: (5-chloro-2-methoxy-phenyl)-(trifluoromethyl)BLAHone (5-chloro-2-methoxy-phenyl)-(tri…

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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 9.94 -13.5 0 7 0 74 395.728 3 ↓

Analogs

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Popular Name: (2,4-dimethoxyphenyl)-(trifluoromethyl)BLAHone (2,4-dimethoxyphenyl)-(trifluoro…

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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) 2.53 8.72 -14.29 0 8 0 84 391.309 4 ↓

Analogs

40175424
40175424

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Popular Name: (2-aminophenyl)BLAHone (2-aminophenyl)BLAHone

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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) 0.93 8.16 -13.73 2 7 0 91 278.275 1 ↓

Analogs

40175425
40175425

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Popular Name: (2-hydroxyphenyl)BLAHone (2-hydroxyphenyl)BLAHone

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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) 1.22 7.9 -46.41 0 7 -1 88 278.251 1 ↓

Analogs

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Popular Name: 2-(oxoBLAHyl)benzoic 2-(oxoBLAHyl)benzoic

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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) 1.01 10.77 -54.8 0 8 -1 105 306.261 2 ↓

Analogs

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Popular Name: (5-chloro-2-methyl-phenyl)-(methoxymethyl)BLAHone (5-chloro-2-methyl-phenyl)-(meth…

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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) 2.82 10.17 -15.71 0 7 0 74 355.785 3 ↓

Parameters Provided:

ring.id = 61363
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 = 61363 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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