UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[1-[(3R)-tetrahydrofuran-3-yl]imidazol-2-yl]ethanamine 2-[1-[(3R)-tetrahydrofuran-3-yl]…

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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) -0.81 1.72 -54.03 3 4 1 55 182.247 3 ↓
Hi High (pH 8-9.5) -0.81 1.33 -7.58 2 4 0 53 181.239 3 ↓
Mid Mid (pH 6-8) -0.81 2.18 -107.28 4 4 2 56 183.255 3 ↓

Analogs

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Popular Name: 2-[1-[(3S)-tetrahydrofuran-3-yl]imidazol-2-yl]ethanamine 2-[1-[(3S)-tetrahydrofuran-3-yl]…

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) -0.81 1.67 -52.26 3 4 1 55 182.247 3 ↓
Hi High (pH 8-9.5) -0.81 1.28 -7.19 2 4 0 53 181.239 3 ↓
Mid Mid (pH 6-8) -0.81 2.13 -107.65 4 4 2 56 183.255 3 ↓

Analogs

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Popular Name: 2-propyl-1-[(3R)-tetrahydrofuran-3-yl]imidazole 2-propyl-1-[(3R)-tetrahydrofuran…

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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) 1.26 5.58 -28.56 1 3 1 28 181.259 3 ↓
Mid Mid (pH 6-8) 1.26 5.12 -6.91 0 3 0 27 180.251 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-propyl-1-[(3S)-tetrahydrofuran-3-yl]imidazole 2-propyl-1-[(3S)-tetrahydrofuran…

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) 1.26 5.53 -29 1 3 1 28 181.259 3 ↓
Mid Mid (pH 6-8) 1.26 5.07 -6.49 0 3 0 27 180.251 3 ↓

Parameters Provided:

ring.id = 479770
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 = 479770 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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