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

Analogs

42458964
42458964
42458966
42458966
43897869
43897869
43897871
43897871
43897873
43897873

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]indan-1-amine (1S,2R)-2-[(2S,6S)-2,6-dimethylm…

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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) 0.01 4.58 -41.91 3 3 1 40 247.362 1 ↓
Hi High (pH 8-9.5) 0.01 4.25 -3.37 2 3 0 38 246.354 1 ↓
Lo Low (pH 4.5-6) 0.01 6.19 -125.16 4 3 2 41 248.37 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]indane-2-carboxylic 2-[(2S,6R)-2,6-dimethylmorpholin…

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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) 0.04 8.5 -29.95 1 4 0 54 275.348 2 ↓
Mid Mid (pH 6-8) 0.04 6.44 -49.46 0 4 -1 53 274.34 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-[2-[(2R)-4-indan-2-ylmorpholin-2-yl]ethyl]urea 1-ethyl-3-[2-[(2R)-4-indan-2-ylm…

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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) 1.68 4.24 -11.52 2 5 0 54 317.433 5 ↓
Mid Mid (pH 6-8) 1.68 6.42 -49.95 3 5 1 55 318.441 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-3-[2-[(2S)-4-indan-2-ylmorpholin-2-yl]ethyl]urea 1-ethyl-3-[2-[(2S)-4-indan-2-ylm…

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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) 1.68 4.23 -11.49 2 5 0 54 317.433 5 ↓
Mid Mid (pH 6-8) 1.68 6.43 -50 3 5 1 55 318.441 5 ↓

Analogs

35775574
35775574
35775577
35775577
36326153
36326153
36326154
36326154
35784218
35784218

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(3,3-dimethylmorpholin-4-yl)indan-1-amine (1S,2R)-2-(3,3-dimethylmorpholin…

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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) 0.09 3.81 -39.81 3 3 1 40 247.362 1 ↓
Hi High (pH 8-9.5) 0.09 3.55 -3.21 2 3 0 38 246.354 1 ↓
Lo Low (pH 4.5-6) 0.09 5.23 -119.51 4 3 2 41 248.37 1 ↓

Analogs

35775574
35775574
35775577
35775577
36326153
36326153
36326154
36326154
35784218
35784218

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(3,3-dimethylmorpholin-4-yl)indan-1-amine (1S,2S)-2-(3,3-dimethylmorpholin…

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) 0.09 2.37 -45.52 3 3 1 40 247.362 1 ↓
Hi High (pH 8-9.5) 0.09 2.07 -3.28 2 3 0 38 246.354 1 ↓
Lo Low (pH 4.5-6) 0.09 4.69 -116.44 4 3 2 41 248.37 1 ↓

Parameters Provided:

ring.id = 120174
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 = 120174 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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