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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: (2S)-N1-cyclopropyl-N2,3-dimethyl-N2-[(3R)-tetrahydrothiophen-3-yl]butane-1,2-diamine (2S)-N1-cyclopropyl-N2,3-dimethy…

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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) 2.25 7 -39.62 2 2 1 20 243.44 6 ↓
Hi High (pH 8-9.5) 2.25 5.98 -1.75 1 2 0 15 242.432 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N2,3-dimethyl-N2-[(3R)-tetrahydrothiophen-3-yl]butane-1,2-diamine (2R)-N1-cyclopropyl-N2,3-dimethy…

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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) 2.25 6.18 -35.72 2 2 1 20 243.44 6 ↓
Hi High (pH 8-9.5) 2.25 4.51 -2.6 1 2 0 15 242.432 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-N2-methyl-N2-[(3R)-tetrahydrothiophen-3-yl]propane-1,2-diamine (2S)-N1-cyclopropyl-N2-methyl-N2…

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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) 1.47 5.23 -34.67 2 2 1 20 215.386 5 ↓
Hi High (pH 8-9.5) 1.47 3.97 -2.43 1 2 0 15 214.378 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N2-methyl-N2-[(3R)-tetrahydrothiophen-3-yl]propane-1,2-diamine (2R)-N1-cyclopropyl-N2-methyl-N2…

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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) 1.47 5.26 -38.57 2 2 1 20 215.386 5 ↓
Hi High (pH 8-9.5) 1.47 4.67 -1.94 1 2 0 15 214.378 5 ↓

Analogs

44683944
44683944
44683945
44683945

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N1-cyclopropyl-N2-methyl-N2-[(3R)-tetrahydrothiophen-3-yl]butane-1,2-diamine (2S)-N1-cyclopropyl-N2-methyl-N2…

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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) 2.00 6.29 -39.84 2 2 1 20 229.413 6 ↓
Hi High (pH 8-9.5) 2.00 5.24 -1.77 1 2 0 15 228.405 6 ↓

Analogs

44683944
44683944
44683945
44683945

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N1-cyclopropyl-N2-methyl-N2-[(3R)-tetrahydrothiophen-3-yl]butane-1,2-diamine (2R)-N1-cyclopropyl-N2-methyl-N2…

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) 2.00 5.74 -35.74 2 2 1 20 229.413 6 ↓
Hi High (pH 8-9.5) 2.00 4.06 -2.76 1 2 0 15 228.405 6 ↓

Parameters Provided:

ring.id = 237067
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 = 237067 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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