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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R,4R)-2,4-dimethylcyclohexyl]-1,3-benzoxazol-2-amine N-[(1S,2R,4R)-2,4-dimethylcycloh…

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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) 3.86 6.45 -6.62 1 3 0 38 244.338 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R,4S)-2,4-dimethylcyclohexyl]-1,3-benzoxazol-2-amine N-[(1S,2R,4S)-2,4-dimethylcycloh…

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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) 3.86 5.64 -6.87 1 3 0 38 244.338 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-1,3-benzoxazol-2-amine N-[(1R,2R,4R)-2,4-dimethylcycloh…

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) 3.86 6.05 -6.86 1 3 0 38 244.338 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-1,3-benzoxazol-2-amine N-[(1R,2R,4S)-2,4-dimethylcycloh…

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) 3.86 5.81 -6.9 1 3 0 38 244.338 2 ↓

Analogs

42253566
42253566
42253570
42253570
42253574
42253574
52340865
52340865
25452571
25452571

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-ethylcyclohexyl]-1,3-benzoxazol-2-amine N-[(1S,2R)-2-ethylcyclohexyl]-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) 4.36 6.47 -6.65 1 3 0 38 244.338 3 ↓

Analogs

42253570
42253570
42253574
42253574
43413557
43413557
52340865
52340865
42253562
42253562

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2S)-2-ethylcyclohexyl]-1,3-benzoxazol-2-amine N-[(1S,2S)-2-ethylcyclohexyl]-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) 4.36 6.1 -6.88 1 3 0 38 244.338 3 ↓

Analogs

42253574
42253574
43413557
43413557
52340865
52340865
42253562
42253562
42253566
42253566

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-ethylcyclohexyl]-1,3-benzoxazol-2-amine N-[(1R,2R)-2-ethylcyclohexyl]-1,…

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) 4.36 6.1 -6.87 1 3 0 38 244.338 3 ↓

Analogs

43413557
43413557
52340865
52340865
42253562
42253562
42253566
42253566
42253570
42253570

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2S)-2-ethylcyclohexyl]-1,3-benzoxazol-2-amine N-[(1R,2S)-2-ethylcyclohexyl]-1,…

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) 4.36 6.47 -6.66 1 3 0 38 244.338 3 ↓

Parameters Provided:

ring.id = 524752
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 = 524752 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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