UCSF
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Analogs

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Popular Name: N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]thieno[3,2-c]pyridin-4-amine N-[(1S)-2-(4-fluorophenyl)-1-met…

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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 10.08 -33.42 2 2 1 26 287.383 4 ↓
Hi High (pH 8-9.5) 4.09 9.74 -8.17 1 2 0 25 286.375 4 ↓

Analogs

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Popular Name: N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]thieno[3,2-c]pyridin-4-amine N-[(1R)-2-(4-fluorophenyl)-1-met…

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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 10.06 -33.48 2 2 1 26 287.383 4 ↓
Hi High (pH 8-9.5) 4.09 9.72 -8.18 1 2 0 25 286.375 4 ↓

Analogs

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Popular Name: (1S)-1-phenyl-N'-thieno[3,2-c]pyridin-4-yl-ethane-1,2-diamine (1S)-1-phenyl-N'-thieno[3,2-c]py…

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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) 0.90 6.65 -110.77 5 3 2 54 271.389 4 ↓
Hi High (pH 8-9.5) 0.90 6.21 -29.41 4 3 1 52 270.381 4 ↓
Hi High (pH 8-9.5) 0.90 6.29 -51.23 4 3 1 53 270.381 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-phenyl-N'-thieno[3,2-c]pyridin-4-yl-ethane-1,2-diamine (1R)-1-phenyl-N'-thieno[3,2-c]py…

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) 0.90 6.65 -110.77 5 3 2 54 271.389 4 ↓
Hi High (pH 8-9.5) 0.90 6.3 -31.6 4 3 1 52 270.381 4 ↓
Hi High (pH 8-9.5) 0.90 5.95 -6.74 3 3 0 51 269.373 4 ↓

Parameters Provided:

ring.id = 179430
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 = 179430 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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