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

Analogs

12341341
12341341

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Popular Name: N-methylBLAHcarboxamide N-methylBLAHcarboxamide

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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) 2.96 5.08 -6.99 1 2 0 29 207.317 1 ↓

Analogs

1504576
1504576

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Popular Name: BLAHcarboxylic BLAHcarboxylic

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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) 2.77 7.33 -50.4 0 2 -1 40 193.266 1 ↓
Lo Low (pH 4.5-6) 2.77 5.4 -4.2 1 2 0 37 194.274 1 ↓

Analogs

13774328
13774328
1300081
1300081

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Popular Name: N-(2-dimethylaminoethyl)BLAHcarboxamide N-(2-dimethylaminoethyl)BLAHcarb…

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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) 2.99 7.24 -41.61 2 3 1 34 265.421 4 ↓

Analogs

13576628
13576628
289779
289779

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Popular Name: 2-dimethylaminoethyl 2-dimethylaminoethyl

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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) 3.41 9.84 -37.51 1 3 1 31 266.405 5 ↓

Analogs

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Popular Name: 1-(4-methoxyphenyl)-N-(BLAHylmethyl)methanimine 1-(4-methoxyphenyl)-N-(BLAHylmet…

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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) 5.04 10.3 -40.56 1 2 1 23 298.45 4 ↓

Analogs

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Popular Name: 1-(4-nitrophenyl)-N-(BLAHylmethyl)methanimine 1-(4-nitrophenyl)-N-(BLAHylmethy…

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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) 4.94 11.53 -55.46 1 4 1 60 313.421 4 ↓
Hi High (pH 8-9.5) 4.94 10.21 -6.98 0 4 0 58 312.413 4 ↓
Hi High (pH 8-9.5) 4.94 10.78 -6.35 0 4 0 58 312.413 4 ↓

Parameters Provided:

ring.id = 101529
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 = 101529 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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