UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11982190
11982190

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Popular Name: (3R)-N-[[7-[2-[3-(trifluoromethyl)phenyl]acetyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diaze (3R)-N-[[7-[2-[3-(trifluoromethy…

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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) 1.10 -0.73 -20.93 1 8 0 89 451.449 6 ↓

Analogs

11982183
11982183

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Popular Name: (3S)-N-[[7-[2-[3-(trifluoromethyl)phenyl]acetyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diaze (3S)-N-[[7-[2-[3-(trifluoromethy…

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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) 1.10 -0.69 -20.2 1 8 0 89 451.449 6 ↓

Analogs

12003322
12003322

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Popular Name: (3R)-N-[[7-[2-(4-methylsulfanylphenyl)acetyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin (3R)-N-[[7-[2-(4-methylsulfanylp…

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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) 0.67 -3.26 -21.23 1 8 0 89 429.546 6 ↓

Analogs

12003318
12003318

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Popular Name: (3S)-N-[[7-[2-(4-methylsulfanylphenyl)acetyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin (3S)-N-[[7-[2-(4-methylsulfanylp…

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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) 0.67 -3.23 -20.07 1 8 0 89 429.546 6 ↓

Analogs

12040654
12040654

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Popular Name: (3R)-N-[[7-[2-(4-chlorophenyl)acetyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin-3-yl]me (3R)-N-[[7-[2-(4-chlorophenyl)ac…

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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) 0.91 -3.05 -20.42 1 8 0 89 417.897 5 ↓

Analogs

12040650
12040650

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Popular Name: (3S)-N-[[7-[2-(4-chlorophenyl)acetyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin-3-yl]me (3S)-N-[[7-[2-(4-chlorophenyl)ac…

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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) 0.91 -3.02 -19.4 1 8 0 89 417.897 5 ↓

Analogs

12209820
12209820

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Popular Name: (3R)-N-[[7-[2-(2,4,6-trifluorophenyl)acetyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin- (3R)-N-[[7-[2-(2,4,6-trifluoroph…

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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) 0.58 -0.75 -18.6 1 8 0 89 437.422 5 ↓

Analogs

12209811
12209811

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Popular Name: (3S)-N-[[7-[2-(2,4,6-trifluorophenyl)acetyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,5-d][1,4]diazepin- (3S)-N-[[7-[2-(2,4,6-trifluoroph…

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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) 0.58 -0.72 -17.38 1 8 0 89 437.422 5 ↓

Parameters Provided:

ring.id = 64524
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 = 64524 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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