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

Analogs

1716576
1716576

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Popular Name: N'-(4-chloro-2,5,9-triazabicyclo[4.4.0]deca-1,3,5,7,9-pentaen-10-yl)-N,N-diethyl-pentane-1,4-diamine N'-(4-chloro-2,5,9-triazabicyclo…

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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) 3.08 -1.28 -37.58 2 5 1 55 322.864 8 ↓

Analogs

1719151
1719151

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Popular Name: N'-[4-(4-chlorophenyl)-2,5,9-triazabicyclo[4.4.0]deca-1,3,5,7,9-pentaen-10-yl]-N,N-diethyl-pentane-1 N'-[4-(4-chlorophenyl)-2,5,9-tri…

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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) 4.62 -0.65 -39.62 2 5 1 55 398.962 9 ↓

Analogs

1719150
1719150

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Popular Name: N'-[4-(2-chlorophenyl)-2,5,9-triazabicyclo[4.4.0]deca-1,3,5,7,9-pentaen-10-yl]-N,N-diethyl-pentane-1 N'-[4-(2-chlorophenyl)-2,5,9-tri…

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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) 4.58 -0.55 -40.68 2 5 1 55 398.962 9 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 6.27 14.66 -38.8 3 8 1 93 527.693 13 ↓
Hi High (pH 8-9.5) 5.67 12.78 -61.6 2 8 0 100 526.685 13 ↓

Analogs

1707558
1707558
26827727
26827727

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Popular Name: ethyl ethyl

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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) 6.27 14.64 -40.04 3 8 1 93 527.693 13 ↓
Hi High (pH 8-9.5) 5.67 12.77 -62.87 2 8 0 100 526.685 13 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.89 4.03 -10.35 3 8 0 112 353.382 6 ↓
Hi High (pH 8-9.5) 2.30 2.13 -46.88 2 8 -1 119 352.374 6 ↓

Analogs

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Popular Name: 7-Chloropyrido[3,4-b]pyrazine 7-Chloropyrido[3,4-b]pyrazine

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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) 1.66 1.6 -7.6 0 3 0 39 165.583 0 ↓

Parameters Provided:

ring.id = 1482
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 = 1482 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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