UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6540998
6540998
6541010
6541010
6541016
6541016

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Popular Name: 2-(2-isopropyl-5-methyl-phenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide 2-(2-isopropyl-5-methyl-phenoxy)…

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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) 3.27 2.42 -18.2 1 6 0 69 378.476 7 ↓

Analogs

6540996
6540996

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Popular Name: 2-(2-isopropyl-5-methyl-phenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide 2-(2-isopropyl-5-methyl-phenoxy)…

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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) 3.27 2.42 -18.17 1 6 0 69 378.476 7 ↓

Analogs

6541006
6541006
8349418
8349418
8349419
8349419

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Popular Name: 2-(2-cyanophenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide 2-(2-cyanophenoxy)-N-[1-[4-(1,2,…

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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) 1.56 2.6 -26.92 1 7 0 92 347.378 6 ↓

Analogs

8349418
8349418
8349419
8349419
6541002
6541002

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Popular Name: 2-(2-cyanophenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide 2-(2-cyanophenoxy)-N-[1-[4-(1,2,…

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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) 1.56 2.6 -26.96 1 7 0 92 347.378 6 ↓

Analogs

6541023
6541023

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Popular Name: 2-(4-bromophenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide 2-(4-bromophenoxy)-N-[1-[4-(1,2,…

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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) 2.66 0.44 -18.45 1 6 0 69 401.264 6 ↓

Analogs

6541019
6541019

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Popular Name: 2-(4-bromophenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide 2-(4-bromophenoxy)-N-[1-[4-(1,2,…

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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) 2.66 0.44 -18.48 1 6 0 69 401.264 6 ↓

Analogs

6541029
6541029

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Popular Name: 2-(4-chloro-3-methyl-phenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide 2-(4-chloro-3-methyl-phenoxy)-N-…

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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) 2.91 1.36 -18.55 1 6 0 69 370.84 6 ↓

Analogs

6541025
6541025

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Popular Name: 2-(4-chloro-3-methyl-phenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide 2-(4-chloro-3-methyl-phenoxy)-N-…

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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) 2.91 1.36 -18.58 1 6 0 69 370.84 6 ↓

Analogs

13012074
13012074
13012075
13012075
13012076
13012076

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Popular Name: (2R)-N-methyl-2-(4-methylphenoxy)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide (2R)-N-methyl-2-(4-methylphenoxy…

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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) 2.91 13.1 -16.93 0 6 0 60 364.449 6 ↓

Analogs

13012075
13012075
13012076
13012076
13012073
13012073

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Popular Name: (2S)-N-methyl-2-(4-methylphenoxy)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide (2S)-N-methyl-2-(4-methylphenoxy…

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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) 2.91 13.05 -17.08 0 6 0 60 364.449 6 ↓

Analogs

13012076
13012076
25918432
25918432
25918438
25918438
25918443
25918443
25918448
25918448

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Popular Name: (2R)-N-methyl-2-(4-methylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide (2R)-N-methyl-2-(4-methylphenoxy…

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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) 2.91 13.06 -20.71 0 6 0 60 364.449 6 ↓

Analogs

13012073
13012073

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Popular Name: (2S)-N-methyl-2-(4-methylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide (2S)-N-methyl-2-(4-methylphenoxy…

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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) 2.91 13.06 -16.75 0 6 0 60 364.449 6 ↓

Analogs

8349454
8349454
8349455
8349455

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Popular Name: N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide N-[(1S)-1-[4-(1,2,4-triazol-1-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) 2.75 11.55 -16.9 1 6 0 69 390.365 7 ↓

Analogs

8349454
8349454
8349455
8349455

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Popular Name: N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide N-[(1R)-1-[4-(1,2,4-triazol-1-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) 2.75 11.55 -16.86 1 6 0 69 390.365 7 ↓

Analogs

14240538
14240538
12998226
12998226

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Popular Name: 2-(2-tert-butylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide 2-(2-tert-butylphenoxy)-N-[(1R)-…

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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) 3.51 13.08 -17.12 1 6 0 69 378.476 7 ↓

Analogs

12998226
12998226

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Popular Name: 2-(2-tert-butylphenoxy)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide 2-(2-tert-butylphenoxy)-N-[(1S)-…

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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) 3.51 13.07 -17.12 1 6 0 69 378.476 7 ↓

Parameters Provided:

ring.id = 3335
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 = 3335 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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