UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2792282
2792282
2792510
2792510

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Popular Name: N-allyl-2-[[4-cyclopropyl-5-[[3-(difluoromethyl)-5-methyl-pyrazol-1-yl]methyl]-1,2,4-triazol-3-yl]th N-allyl-2-[[4-cyclopropyl-5-[[3-…

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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) 1.64 0.84 -14.2 1 7 0 77 382.44 9 ↓

Analogs

2792245
2792245

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Popular Name: 2-[[4-cyclopropyl-5-[[3-(difluoromethyl)-5-methyl-pyrazol-1-yl]methyl]-1,2,4-triazol-3-yl]thio]-N-is 2-[[4-cyclopropyl-5-[[3-(difluor…

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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) 2.12 0.98 -14.11 1 7 0 77 398.483 9 ↓

Analogs

2792611
2792611

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Popular Name: N-allyl-2-[[4-cyclopropyl-5-[(5-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]thio]acetamide N-allyl-2-[[4-cyclopropyl-5-[(5-…

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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) 0.86 -0.51 -12.92 1 7 0 77 332.433 8 ↓

Analogs

2793426
2793426
2793506
2793506
2792556
2792556

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Popular Name: 2-[[4-cyclopropyl-5-[(5-methylpyrazol-1-yl)methyl]-1,2,4-triazol-3-yl]thio]-N-isobutyl-acetamide 2-[[4-cyclopropyl-5-[(5-methylpy…

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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) 1.34 7.8 -12.76 1 7 0 78 348.476 8 ↓

Analogs

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Popular Name: 1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine 1-[(4-cyclopropyl-5-methyl-1,2,4…

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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) -0.53 4.29 -16.65 2 6 0 75 218.264 3 ↓

Parameters Provided:

ring.id = 237655
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 = 237655 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=237655&filter.purchasability=annotated

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