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

Analogs

3386034
3386034

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Popular Name: (5-methylisoxazol-3-yl)carbamoylmethyl (5-methylisoxazol-3-yl)carbamoyl…

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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) 3.46 6.71 -10.19 1 6 0 81 396.243 7 ↓

Analogs

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Popular Name: [2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] [2-[(5-methylisoxazol-3-yl)amino…

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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) 1.83 8.38 -15.73 1 11 0 146 379.325 9 ↓

Analogs

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Popular Name: [(1S)-1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] [(1S)-1-methyl-2-[(5-methylisoxa…

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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) 3.06 8.86 -12.31 1 8 0 100 427.251 8 ↓

Analogs

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Popular Name: [(1R)-1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] [(1R)-1-methyl-2-[(5-methylisoxa…

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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) 3.06 8.83 -12.37 1 8 0 100 427.251 8 ↓

Analogs

16746209
16746209
16746211
16746211

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Popular Name: [(1S)-1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] [(1S)-1-methyl-2-[(5-methylisoxa…

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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) 2.19 7.99 -13.52 1 7 0 91 304.302 6 ↓

Analogs

16746209
16746209
16746211
16746211

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Popular Name: [(1R)-1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] [(1R)-1-methyl-2-[(5-methylisoxa…

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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) 2.19 7.95 -13.49 1 7 0 91 304.302 6 ↓

Analogs

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Popular Name: 2-acetoxybenzoic-acid-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]-ester 2-acetoxybenzoic-acid-[2-keto-2-…

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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) 1.33 4 -16.12 1 8 0 107 318.285 7 ↓

Analogs

14246946
14246946
16743672
16743672
16743673
16743673

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Popular Name: [(1R)-1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] [(1R)-1-methyl-2-[(5-methylisoxa…

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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) 2.06 8.57 -11.74 1 9 0 127 319.273 6 ↓

Analogs

16743672
16743672
16743673
16743673
14246945
14246945

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Popular Name: [(1S)-1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] [(1S)-1-methyl-2-[(5-methylisoxa…

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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) 2.06 8.57 -11.73 1 9 0 127 319.273 6 ↓

Analogs

14253115
14253115
6347536
6347536

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Popular Name: [(1R)-1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] [(1R)-1-methyl-2-[(5-methylisoxa…

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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) 1.32 6.79 -16.56 2 8 0 111 331.328 6 ↓

Analogs

6347536
6347536
14253112
14253112

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Popular Name: [(1S)-1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] [(1S)-1-methyl-2-[(5-methylisoxa…

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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) 1.32 6.85 -16.54 2 8 0 111 331.328 6 ↓

Analogs

14253128
14253128
16760435
16760435
16760436
16760436

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Popular Name: [(1S)-1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] [(1S)-1-methyl-2-[(5-methylisoxa…

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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) 1.15 4.1 -17.14 2 9 0 128 367.383 7 ↓

Analogs

16760435
16760435
16760436
16760436
14253125
14253125

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Popular Name: [(1R)-1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] [(1R)-1-methyl-2-[(5-methylisoxa…

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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) 1.15 4.06 -17.34 2 9 0 128 367.383 7 ↓

Analogs

6346282
6346282

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Popular Name: 4-ethoxybenzoic-acid-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]-ester 4-ethoxybenzoic-acid-[2-keto-2-[…

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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) 2.17 2.43 -11.04 1 7 0 90 304.302 7 ↓

Parameters Provided:

ring.id = 2800
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 = 2800 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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