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

Analogs

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Popular Name: 2-naphthyl 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) 4.30 9.95 -14.76 1 4 0 55 323.323 4 ↓

Analogs

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Popular Name: benzoic acid, 2-methyl-, 1-formyl-2-naphthalenyl ester benzoic acid, 2-methyl-, 1-formy…

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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) 4.77 11.93 -13.17 0 3 0 43 290.318 4 ↓

Analogs

31975807
31975807
31975921
31975921
31976085
31976085
5876149
5876149

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Popular Name: benzoic acid, 4-fluoro-, 1-formyl-2-naphthalenyl ester benzoic acid, 4-fluoro-, 1-formy…

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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) 4.87 11.46 -11.29 0 3 0 43 294.281 4 ↓

Analogs

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Popular Name: 1-naphthalenecarboxaldehyde, 2-[(4-nitrobenzoyl)oxy]- 1-naphthalenecarboxaldehyde, 2-[…

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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) 4.67 12.06 -12.07 0 6 0 89 321.288 5 ↓

Analogs

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Popular Name: benzoic acid, 2-iodo-, 1-formyl-2-naphthalenyl ester benzoic acid, 2-iodo-, 1-formyl-…

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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) 5.40 12.3 -12.79 0 3 0 43 402.187 4 ↓

Analogs

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Popular Name: benzoic acid, 3-iodo-4-methoxy-, 1-formyl-2-naphthalenyl ester benzoic acid, 3-iodo-4-methoxy-,…

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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) 5.78 11.86 -13.22 0 4 0 53 432.213 5 ↓

Analogs

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Popular Name: benzoic acid, 3-bromo-4-methoxy-, 1-formyl-2-naphthalenyl ester benzoic acid, 3-bromo-4-methoxy-…

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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) 5.50 11.37 -13.45 0 4 0 53 385.213 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzoic acid, 3-bromo-4-methyl-, 1-formyl-2-naphthalenyl ester benzoic acid, 3-bromo-4-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) 5.89 12.58 -12.55 0 3 0 43 369.214 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzoic acid, 3-iodo-4-methyl-, 1-formyl-2-naphthalenyl ester benzoic acid, 3-iodo-4-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) 6.17 13.02 -12.46 0 3 0 43 416.214 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzoic acid, 2-methoxy-, 1-formyl-2-naphthalenyl ester benzoic acid, 2-methoxy-, 1-form…

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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) 4.80 11.46 -17.02 0 4 0 53 306.317 5 ↓

Parameters Provided:

ring.id = 36722
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 = 36722 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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