UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

30908726
30908726
30908727
30908727
30908806
30908806

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4R)-N-[(1R)-1-(2,5-dimethyl-3-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) 1.97 8.6 -39.78 2 3 1 34 290.456 3 ↓
Lo Low (pH 4.5-6) 1.97 8.76 -101.99 3 3 2 36 291.464 3 ↓

Analogs

30908726
30908726
30908727
30908727
30908806
30908806

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4R)-N-[(1S)-1-(2,5-dimethyl-3-t…

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) 1.97 7.83 -40.36 2 3 1 34 290.456 3 ↓
Lo Low (pH 4.5-6) 1.97 7.99 -103.04 3 3 2 36 291.464 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1R)-1-(2,5-dimethyl-3-thienyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4S)-N-[(1R)-1-(2,5-dimethyl-3-t…

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) 1.97 7.82 -40.01 2 3 1 34 290.456 3 ↓
Lo Low (pH 4.5-6) 1.97 7.98 -102.88 3 3 2 36 291.464 3 ↓

Analogs

30908726
30908726
30908727
30908727
30908806
30908806

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-[(1S)-1-(2,5-dimethyl-3-thienyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (4S)-N-[(1S)-1-(2,5-dimethyl-3-t…

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) 1.97 8.64 -39.99 2 3 1 34 290.456 3 ↓
Lo Low (pH 4.5-6) 1.97 8.8 -102.37 3 3 2 36 291.464 3 ↓

Parameters Provided:

ring.id = 141661
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 = 141661 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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