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

Analogs

541891
541891
5832866
5832866
5838537
5838537
5855424
5855424

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5R)-3-(1-hydroxy-2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]ethanone 1-[(5R)-3-(1-hydroxy-2-naphthyl)…

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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) 3.82 9.1 -11.44 1 4 0 53 330.387 2 ↓
Hi High (pH 8-9.5) 3.82 9.84 -46.63 0 4 -1 56 329.379 2 ↓

Analogs

5832866
5832866
5838537
5838537
5855424
5855424
541890
541890

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5S)-3-(1-hydroxy-2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]ethanone 1-[(5S)-3-(1-hydroxy-2-naphthyl)…

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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) 3.82 9.1 -11.17 1 4 0 53 330.387 2 ↓
Hi High (pH 8-9.5) 3.82 9.84 -46.61 0 4 -1 56 329.379 2 ↓

Analogs

4169982
4169982

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol 2-[5-(2,4-dichlorophenyl)-4,5-di…

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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) 5.49 8.44 -6.13 2 3 0 45 357.24 2 ↓

Analogs

4169976
4169976

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol 2-[5-(2,4-dichlorophenyl)-4,5-di…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 5.49 8.42 -6.18 2 3 0 45 357.24 2 ↓

Parameters Provided:

ring.id = 221511
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 = 221511 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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