UCSF
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Analogs

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Popular Name: N-[4-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide N-[4-(2,3-dihydroimidazo[2,1-b]t…

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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) 3.79 9.56 -21.7 2 6 0 76 405.458 4 ↓
Lo Low (pH 4.5-6) 3.79 9.93 -36.43 3 6 1 77 406.466 4 ↓

Analogs

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Popular Name: N-[4-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)phenyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide N-[4-(2,3-dihydroimidazo[2,1-b]t…

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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) 3.66 8.8 -23.49 2 7 0 85 417.494 5 ↓
Lo Low (pH 4.5-6) 3.66 9.16 -35.95 3 7 1 86 418.502 5 ↓

Analogs

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Popular Name: N-[4-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide N-[4-(2,3-dihydroimidazo[2,1-b]t…

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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) 3.63 9.5 -21.99 2 6 0 76 387.468 4 ↓
Lo Low (pH 4.5-6) 3.63 9.87 -35.36 3 6 1 77 388.476 4 ↓

Analogs

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Popular Name: N-[4-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)phenyl]-3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxamid N-[4-(2,3-dihydroimidazo[2,1-b]t…

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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) 3.67 8.37 -25.05 2 8 0 94 447.52 6 ↓

Analogs

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Popular Name: N-[4-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)phenyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide N-[4-(2,3-dihydroimidazo[2,1-b]t…

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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) 3.70 10.76 -22.13 1 6 0 65 401.495 4 ↓

Parameters Provided:

ring.id = 599826
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 = 599826 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=599826&filter.purchasability=annotated

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