UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-methyl-BLAH [3-[(3,5-dimethyl-4-nitro-pyrazo…

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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) 2.19 12.17 -18.09 0 11 0 125 403.406 4 ↓

Analogs

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Popular Name: [3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]phenyl]-methyl-BLAH [3-[(4-bromo-3-nitro-pyrazol-1-y…

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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) 2.68 12.59 -22.66 0 11 0 125 454.248 4 ↓

Analogs

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Popular Name: [3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-methyl-BLAH [3-[(4-chloro-3,5-dimethyl-pyraz…

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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) 2.90 1.36 -13.23 0 8 0 78 392.854 3 ↓

Analogs

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Popular Name: [3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-methyl-BLAH [3-[(4-bromo-3,5-dimethyl-pyrazo…

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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) 3.04 12.01 -13.17 0 8 0 79 437.305 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-methyl-BLAH [3-[(3,5-dimethylpyrazol-1-yl)me…

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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) 2.30 1.52 -13.6 0 8 0 78 358.409 3 ↓

Analogs

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Popular Name: [3-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]phenyl]-methyl-BLAH [3-[(4-chloro-3-nitro-pyrazol-1-…

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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) 2.54 12.51 -22.92 0 11 0 125 409.797 4 ↓

Analogs

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Popular Name: [3-[(4-bromopyrazol-1-yl)methyl]phenyl]-methyl-BLAH [3-[(4-bromopyrazol-1-yl)methyl]…

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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) 2.59 0.59 -13.37 0 8 0 78 409.251 3 ↓

Analogs

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Popular Name: methyl-[3-(pyrazol-1-ylmethyl)phenyl]BLAH methyl-[3-(pyrazol-1-ylmethyl)ph…

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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) 1.86 1.36 -13.85 0 8 0 78 330.355 3 ↓

Parameters Provided:

ring.id = 241616
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 = 241616 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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