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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37855941
37855941
37855942
37855942
37855943
37855943
37855944
37855944
37859679
37859679

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(cyclopropylamino)-3-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]propan-2-ol (2R)-1-(cyclopropylamino)-3-[[(3…

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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) -0.63 -1.89 -50.25 3 5 1 74 263.383 6 ↓
Mid Mid (pH 6-8) -0.63 0.94 -55.71 3 5 1 78 263.383 6 ↓

Analogs

37855941
37855941
37855942
37855942
37855943
37855943
37855944
37855944
37859679
37859679

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(cyclopropylamino)-3-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]propan-2-ol (2S)-1-(cyclopropylamino)-3-[[(3…

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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) -0.63 -2.16 -50.09 3 5 1 74 263.383 6 ↓
Mid Mid (pH 6-8) -0.63 0.94 -56.71 3 5 1 78 263.383 6 ↓

Analogs

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Popular Name: (2S)-N-cyclopropyl-N'-[(3R)-1,1-dioxothiolan-3-yl]-N',2-dimethyl-propane-1,3-diamine (2S)-N-cyclopropyl-N'-[(3R)-1,1-…

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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) 0.76 2.39 -47.81 2 4 1 54 261.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopropyl-N'-[(3R)-1,1-dioxothiolan-3-yl]-N',2-dimethyl-propane-1,3-diamine (2R)-N-cyclopropyl-N'-[(3R)-1,1-…

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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) 0.76 2.13 -45.93 2 4 1 54 261.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N1-cyclopropyl-N3-[(3R)-1,1-dioxothiolan-3-yl]-N3-methyl-butane-1,3-diamine (3S)-N1-cyclopropyl-N3-[(3R)-1,1…

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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) 0.61 1.41 -50.73 2 4 1 54 261.411 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N1-cyclopropyl-N3-[(3R)-1,1-dioxothiolan-3-yl]-N3-methyl-butane-1,3-diamine (3R)-N1-cyclopropyl-N3-[(3R)-1,1…

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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) 0.61 1.94 -48.74 2 4 1 54 261.411 6 ↓

Parameters Provided:

ring.id = 117629
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 = 117629 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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