UCSF
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Analogs

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Popular Name: 3-chloro-5,6-dihydrothieno[2,3-h]cinnoline 3-chloro-5,6-dihydrothieno[2,3-h…

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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) 3.07 5.73 -9.75 0 2 0 26 222.7 0 ↓

Analogs

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Popular Name: 5,6-dihydrothieno[2,3-h]cinnolin-3-ylhydrazine 5,6-dihydrothieno[2,3-h]cinnolin…

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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) 1.64 3.95 -12.66 3 4 0 64 218.285 1 ↓
Mid Mid (pH 6-8) 1.64 4.08 -27.34 4 4 1 65 219.293 1 ↓

Analogs

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Popular Name: 5,6-dihydrothieno[2,3-h]cinnolin-3-amine 5,6-dihydrothieno[2,3-h]cinnolin…

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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) 1.88 4.09 -11.41 2 3 0 52 203.27 0 ↓
Mid Mid (pH 6-8) 1.88 4.25 -31.11 3 3 1 53 204.278 0 ↓
Mid Mid (pH 6-8) 1.88 4.22 -26.61 3 3 1 53 204.278 0 ↓

Analogs

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Popular Name: N-methyl-5,6-dihydrothieno[2,3-h]cinnolin-3-amine N-methyl-5,6-dihydrothieno[2,3-h…

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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) 2.25 5 -11.39 1 3 0 38 217.297 1 ↓
Mid Mid (pH 6-8) 2.25 5.13 -25.35 2 3 1 39 218.305 1 ↓
Mid Mid (pH 6-8) 2.25 5.16 -28.95 2 3 1 39 218.305 1 ↓

Analogs

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Popular Name: N-ethyl-5,6-dihydrothieno[2,3-h]cinnolin-3-amine N-ethyl-5,6-dihydrothieno[2,3-h]…

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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) 2.63 5.82 -10.91 1 3 0 38 231.324 2 ↓
Mid Mid (pH 6-8) 2.63 5.97 -28.36 2 3 1 39 232.332 2 ↓
Mid Mid (pH 6-8) 2.63 5.94 -25.08 2 3 1 39 232.332 2 ↓

Parameters Provided:

ring.id = 210664
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 = 210664 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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