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

Analogs

8980619
8980619
8980626
8980626
8980872
8980872

Draw Identity 99% 90% 80% 70%

Popular Name: cyclohexylcarbamoylmethyl cyclohexylcarbamoylmethyl

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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 11.06 -16.25 1 7 0 93 491.009 10 ↓

Analogs

3465564
3465564
4641555
4641555
4641556
4641556

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Popular Name: (2-methylcyclohexyl)carbamoylmethyl (2-methylcyclohexyl)carbamoylmethyl

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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) 4.56 -2.09 -16.88 2 8 0 110 474.579 9 ↓
Hi High (pH 8-9.5) 4.56 -1.51 -53.3 1 8 -1 112 473.571 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] [2-[(4-methylcyclohexyl)amino]-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) 3.80 8.9 -16.8 2 7 0 102 448.516 8 ↓
Mid Mid (pH 6-8) 3.80 8.97 -44.18 1 7 -1 104 447.508 8 ↓

Analogs

14638896
14638896
14638898
14638898

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] [2-[(4-methylcyclohexyl)amino]-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) 4.09 9.46 -19.11 2 8 0 111 474.579 9 ↓
Hi High (pH 8-9.5) 4.09 9.53 -54.14 1 8 -1 113 473.571 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[cyclohexyl(methyl)amino]-2-oxo-ethyl] [2-[cyclohexyl(methyl)amino]-2-o…

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) 5.00 10.53 -18 0 9 0 102 539.05 10 ↓

Parameters Provided:

ring.id = 6482
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 = 6482 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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