UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (R)-(1-methylindolin-5-yl)-(1-methylpyrazol-4-yl)methanol (R)-(1-methylindolin-5-yl)-(1-me…

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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) 1.30 4.7 -9.6 1 4 0 41 243.31 2 ↓
Lo Low (pH 4.5-6) 1.30 5.29 -38.32 2 4 1 42 244.318 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-methylindolin-5-yl)-(1-methylpyrazol-4-yl)methanol (S)-(1-methylindolin-5-yl)-(1-me…

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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) 1.30 4.68 -9.63 1 4 0 41 243.31 2 ↓
Lo Low (pH 4.5-6) 1.30 5.29 -38.52 2 4 1 42 244.318 2 ↓

Analogs

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Popular Name: (R)-(1-ethylpyrazol-4-yl)-(1-methylindolin-5-yl)methanol (R)-(1-ethylpyrazol-4-yl)-(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) 1.68 5.56 -9.46 1 4 0 41 257.337 3 ↓
Lo Low (pH 4.5-6) 1.68 6.17 -38.18 2 4 1 42 258.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-ethylpyrazol-4-yl)-(1-methylindolin-5-yl)methanol (S)-(1-ethylpyrazol-4-yl)-(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) 1.68 5.55 -9.37 1 4 0 41 257.337 3 ↓
Lo Low (pH 4.5-6) 1.68 6.15 -38.16 2 4 1 42 258.345 3 ↓

Analogs

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Popular Name: (R)-(1-methylindolin-5-yl)-(1-propylpyrazol-4-yl)methanol (R)-(1-methylindolin-5-yl)-(1-pr…

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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) 2.18 6.32 -9.14 1 4 0 41 271.364 4 ↓
Lo Low (pH 4.5-6) 2.18 6.93 -37.94 2 4 1 42 272.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-methylindolin-5-yl)-(1-propylpyrazol-4-yl)methanol (S)-(1-methylindolin-5-yl)-(1-pr…

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) 2.18 6.31 -9.11 1 4 0 41 271.364 4 ↓
Lo Low (pH 4.5-6) 2.18 6.89 -37.91 2 4 1 42 272.372 4 ↓

Parameters Provided:

ring.id = 165203
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 = 165203 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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