UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37338425
37338425
37338423
37338423
37338080
37338080
37338078
37338078
37338447
37338447

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Popular Name: (2R)-2-[methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]cycloheptanone (2R)-2-[methyl-[[(2S)-tetrahydro…

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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) 1.79 6.62 -35.08 1 3 1 31 226.34 3 ↓
Mid Mid (pH 6-8) 1.79 4.33 -8.41 0 3 0 30 225.332 3 ↓

Analogs

37338425
37338425
37338423
37338423
37338080
37338080
37338078
37338078
37338447
37338447

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]cycloheptanone (2R)-2-[methyl-[[(2R)-tetrahydro…

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) 1.79 6.62 -34.88 1 3 1 31 226.34 3 ↓
Mid Mid (pH 6-8) 1.79 4.36 -8.67 0 3 0 30 225.332 3 ↓

Analogs

37338425
37338425
37338423
37338423
37338080
37338080
37338078
37338078
37338447
37338447

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[ethyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]cycloheptanone (2R)-2-[ethyl-[[(2S)-tetrahydrof…

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) 2.17 7.44 -29.07 1 3 1 31 240.367 4 ↓
Mid Mid (pH 6-8) 2.17 5.26 -6.85 0 3 0 30 239.359 4 ↓

Analogs

37338425
37338425
37338423
37338423
37338080
37338080
37338078
37338078
37338447
37338447

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[ethyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]cycloheptanone (2R)-2-[ethyl-[[(2R)-tetrahydrof…

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) 2.17 7.32 -29.78 1 3 1 31 240.367 4 ↓
Mid Mid (pH 6-8) 2.17 5.23 -5.93 0 3 0 30 239.359 4 ↓

Parameters Provided:

ring.id = 619879
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 = 619879 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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