UCSF
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Analogs

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Popular Name: 2-[(5S)-2-[(N'Z)-N'-[1-methyl-2-[(2S)-3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl]ethyl 2-[(5S)-2-[(N'Z)-N'-[1-methyl-2-…

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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) 7.92 14.48 -50.64 1 8 -1 110 597.809 9 ↓
Mid Mid (pH 6-8) 7.92 14.53 -19.6 2 8 0 108 598.817 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5R)-2-[(N'Z)-N'-[1-methyl-2-[(2S)-3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl]ethyl 2-[(5R)-2-[(N'Z)-N'-[1-methyl-2-…

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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) 7.92 14.48 -49.99 1 8 -1 110 597.809 9 ↓
Mid Mid (pH 6-8) 7.92 14.52 -19.9 2 8 0 108 598.817 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5S)-2-[(N'Z)-N'-[1-methyl-2-[(2R)-3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl]ethyl 2-[(5S)-2-[(N'Z)-N'-[1-methyl-2-…

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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) 7.92 14.44 -50.25 1 8 -1 110 597.809 9 ↓
Mid Mid (pH 6-8) 7.92 14.55 -19.91 2 8 0 108 598.817 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5R)-2-[(N'Z)-N'-[1-methyl-2-[(2R)-3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl]ethyl 2-[(5R)-2-[(N'Z)-N'-[1-methyl-2-…

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) 7.92 14.45 -49.68 1 8 -1 110 597.809 9 ↓
Mid Mid (pH 6-8) 7.92 14.55 -19.58 2 8 0 108 598.817 9 ↓

Parameters Provided:

ring.id = 196645
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 = 196645 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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