UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2R)-1-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]-3-(2-thienylmethoxy)propan-2-ol (2R)-1-[[(4R)-4,5,6,7-tetrahydro…

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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) 2.02 5.87 -45.11 3 3 1 46 324.491 7 ↓
Hi High (pH 8-9.5) 2.02 4.64 -7.93 2 3 0 41 323.483 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]-3-(2-thienylmethoxy)propan-2-ol (2S)-1-[[(4R)-4,5,6,7-tetrahydro…

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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) 2.02 5.86 -45.49 3 3 1 46 324.491 7 ↓
Hi High (pH 8-9.5) 2.02 4.64 -8.05 2 3 0 41 323.483 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]-3-(2-thienylmethoxy)propan-2-ol (2R)-1-[[(4S)-4,5,6,7-tetrahydro…

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) 2.02 5.82 -45.46 3 3 1 46 324.491 7 ↓
Hi High (pH 8-9.5) 2.02 4.76 -7.92 2 3 0 41 323.483 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]-3-(2-thienylmethoxy)propan-2-ol (2S)-1-[[(4S)-4,5,6,7-tetrahydro…

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) 2.02 5.9 -45.18 3 3 1 46 324.491 7 ↓
Hi High (pH 8-9.5) 2.02 4.76 -7.78 2 3 0 41 323.483 7 ↓

Parameters Provided:

ring.id = 211907
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 = 211907 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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