UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25519465
25519465
25519469
25519469

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Popular Name: N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-ca N-[(S)-(2-methoxyphenyl)-(1-meth…

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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) 2.28 8.15 -21.26 2 7 0 89 392.459 5 ↓
Lo Low (pH 4.5-6) 2.28 8.78 -42.33 3 7 1 90 393.467 5 ↓

Analogs

25519465
25519465
25519469
25519469

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-ca N-[(R)-(2-methoxyphenyl)-(1-meth…

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) 2.28 8.23 -21.45 2 7 0 89 392.459 5 ↓
Lo Low (pH 4.5-6) 2.28 9.44 -42.45 3 7 1 90 393.467 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole- N-[(R)-(3,5-dimethoxyphenyl)-(1-…

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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) 2.31 7.34 -24.42 2 8 0 98 422.485 6 ↓
Lo Low (pH 4.5-6) 2.31 7.82 -49.47 3 8 1 99 423.493 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole- N-[(S)-(3,5-dimethoxyphenyl)-(1-…

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) 2.31 7.34 -24.23 2 8 0 98 422.485 6 ↓
Lo Low (pH 4.5-6) 2.31 7.82 -49.85 3 8 1 99 423.493 6 ↓

Parameters Provided:

ring.id = 46989
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 = 46989 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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