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Analogs

6557799
6557799

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Popular Name: N-[[4-(5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazono)cyclohexylidene]amino]-5H-[1,2,4]triazino[5,6-b] N-[[4-(5H-[1,2,4]triazino[5,6-b]…

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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) 3.85 12.91 -22.08 4 12 0 158 476.508 4 ↓

Analogs

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Popular Name: tetraethyl tetraethyl

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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) 3.05 7.76 -27.09 2 12 0 170 482.486 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tetraethyl tetraethyl

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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) 3.05 8.4 -16.85 2 12 0 170 482.486 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tetraethyl tetraethyl

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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) 3.05 7.68 -17.98 2 12 0 170 482.486 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tetraethyl tetraethyl

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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) 3.05 7.96 -19.86 2 12 0 170 482.486 12 ↓

Analogs

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Popular Name: 1-[[4-(carbamimidoylhydrazono)cyclohexylidene]amino]guanidine 1-[[4-(carbamimidoylhydrazono)cy…

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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) -1.33 2.63 -33.12 9 8 1 153 225.28 3 ↓
Hi High (pH 8-9.5) -1.46 2.54 -12.27 8 8 0 154 224.272 2 ↓
Mid Mid (pH 6-8) -1.46 2.73 -73.58 10 8 2 157 226.288 2 ↓

Parameters Provided:

ring.id = 145636
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 = 145636 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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