UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (R)-(1-methylimidazol-2-yl)-(1-methylindolin-5-yl)methanol (R)-(1-methylimidazol-2-yl)-(1-m…

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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) 1.09 5.68 -32.29 2 4 1 43 244.318 2 ↓
Mid Mid (pH 6-8) 1.09 5.09 -9.75 1 4 0 41 243.31 2 ↓

Analogs

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Popular Name: (S)-(1-methylimidazol-2-yl)-(1-methylindolin-5-yl)methanol (S)-(1-methylimidazol-2-yl)-(1-m…

Find On: PubMed — Wikipedia — Google

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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) 1.09 5.69 -32.13 2 4 1 43 244.318 2 ↓
Mid Mid (pH 6-8) 1.09 5.08 -9.7 1 4 0 41 243.31 2 ↓

Analogs

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Popular Name: (R)-(1-methylindolin-5-yl)-(1-propylimidazol-2-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) 1.97 7.3 -31.55 2 4 1 43 272.372 4 ↓
Mid Mid (pH 6-8) 1.97 6.74 -8.95 1 4 0 41 271.364 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-methylindolin-5-yl)-(1-propylimidazol-2-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) 1.97 7.08 -31.1 2 4 1 43 272.372 4 ↓
Mid Mid (pH 6-8) 1.97 6.52 -8.7 1 4 0 41 271.364 4 ↓

Analogs

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Popular Name: (R)-(1-ethylimidazol-2-yl)-(1-methylindolin-5-yl)methanol (R)-(1-ethylimidazol-2-yl)-(1-me…

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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) 1.47 6.55 -31.5 2 4 1 43 258.345 3 ↓
Mid Mid (pH 6-8) 1.47 6 -9.38 1 4 0 41 257.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-ethylimidazol-2-yl)-(1-methylindolin-5-yl)methanol (S)-(1-ethylimidazol-2-yl)-(1-me…

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) 1.47 6.32 -31.24 2 4 1 43 258.345 3 ↓
Mid Mid (pH 6-8) 1.47 5.76 -9.17 1 4 0 41 257.337 3 ↓

Parameters Provided:

ring.id = 345583
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 = 345583 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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