UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (R)-(1-methylindolin-5-yl)-(2-methylpyrazol-3-yl)methanol (R)-(1-methylindolin-5-yl)-(2-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) 1.62 4.48 -9.01 1 4 0 41 243.31 2 ↓
Lo Low (pH 4.5-6) 1.62 5.09 -39.58 2 4 1 42 244.318 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-methylindolin-5-yl)-(2-methylpyrazol-3-yl)methanol (S)-(1-methylindolin-5-yl)-(2-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) 1.62 4.42 -9.06 1 4 0 41 243.31 2 ↓
Lo Low (pH 4.5-6) 1.62 5.03 -39.92 2 4 1 42 244.318 2 ↓

Analogs

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Popular Name: (R)-(1-methylindolin-5-yl)-(2-propylpyrazol-3-yl)methanol (R)-(1-methylindolin-5-yl)-(2-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) 2.50 5.92 -8.41 1 4 0 41 271.364 4 ↓
Lo Low (pH 4.5-6) 2.50 6.52 -39.63 2 4 1 42 272.372 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-methylindolin-5-yl)-(2-propylpyrazol-3-yl)methanol (S)-(1-methylindolin-5-yl)-(2-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) 2.50 6.03 -8.49 1 4 0 41 271.364 4 ↓
Lo Low (pH 4.5-6) 2.50 6.65 -39.79 2 4 1 42 272.372 4 ↓

Analogs

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Popular Name: (R)-(2-ethylpyrazol-3-yl)-(1-methylindolin-5-yl)methanol (R)-(2-ethylpyrazol-3-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) 1.99 5.16 -8.71 1 4 0 41 257.337 3 ↓
Lo Low (pH 4.5-6) 1.99 5.78 -39.73 2 4 1 42 258.345 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(2-ethylpyrazol-3-yl)-(1-methylindolin-5-yl)methanol (S)-(2-ethylpyrazol-3-yl)-(1-met…

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) 1.99 5.27 -8.76 1 4 0 41 257.337 3 ↓
Lo Low (pH 4.5-6) 1.99 5.89 -39.86 2 4 1 42 258.345 3 ↓

Parameters Provided:

ring.id = 342740
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 = 342740 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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