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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-tert-butyl-5-methyl-pyrazol-3-yl)-1-cyclopropyl-1-methyl-urea 3-(2-tert-butyl-5-methyl-pyrazol…

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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) 2.04 7.2 -12.06 1 5 0 50 250.346 3 ↓
Lo Low (pH 4.5-6) 2.04 7.31 -27.02 2 5 1 51 251.354 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(2-cyanoethyl)-5-methyl-pyrazol-3-yl]-1-cyclopropyl-1-methyl-urea 3-[2-(2-cyanoethyl)-5-methyl-pyr…

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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) 0.31 6.34 -13.93 1 6 0 74 247.302 4 ↓

Analogs

43450802
43450802

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Popular Name: (3E)-1-cyclopropyl-3-(2-isopropyl-1H-pyrazol-3-ylidene)-1-methyl-urea (3E)-1-cyclopropyl-3-(2-isopropy…

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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) 1.37 5.99 -11.33 1 5 0 50 222.292 3 ↓
Lo Low (pH 4.5-6) 1.37 6.15 -31.24 2 5 1 51 223.3 3 ↓

Analogs

43580738
43580738

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Popular Name: (3E)-1-cyclopropyl-3-(2-isobutyl-1H-pyrazol-3-ylidene)-1-methyl-urea (3E)-1-cyclopropyl-3-(2-isobutyl…

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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) 1.75 6.82 -11.01 1 5 0 50 236.319 4 ↓
Lo Low (pH 4.5-6) 1.75 6.95 -32.43 2 5 1 51 237.327 4 ↓

Analogs

43583263
43583263

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Popular Name: (3Z)-3-(5-tert-butyl-2-methyl-1H-pyrazol-3-ylidene)-1-cyclopropyl-1-methyl-urea (3Z)-3-(5-tert-butyl-2-methyl-1H…

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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) 2.57 6.86 -11.85 1 5 0 50 250.346 3 ↓
Lo Low (pH 4.5-6) 2.57 6.9 -28.98 2 5 1 51 251.354 3 ↓

Parameters Provided:

ring.id = 559315
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 = 559315 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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