UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[[4-cyclopropyl-5-(2,2-dimethylmorpholin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-cyclopropyl-5-(2,2-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) 1.07 9.5 -49.29 0 7 -1 83 311.387 5 ↓

Analogs

42778913
42778913
42778914
42778914

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Popular Name: 2-[[4-cyclopropyl-5-[(3R)-3-ethylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-cyclopropyl-5-[(3R)-3-ethy…

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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) 1.12 8.66 -47.51 0 7 -1 83 311.387 6 ↓

Analogs

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Popular Name: 2-[[4-cyclopropyl-5-[(3S)-3-ethylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-cyclopropyl-5-[(3S)-3-ethy…

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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) 1.12 9.31 -49.92 0 7 -1 83 311.387 6 ↓

Analogs

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Popular Name: 2-[[4-cyclopropyl-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-cyclopropyl-5-[(2S,6R)-2,6…

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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) 0.98 9.48 -49.23 0 7 -1 83 311.387 5 ↓

Analogs

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Popular Name: 2-[[4-cyclopropyl-5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-cyclopropyl-5-[(2S,6S)-2,6…

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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) 0.98 9.58 -49.4 0 7 -1 83 311.387 5 ↓

Analogs

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Popular Name: 2-[[4-cyclopropyl-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-cyclopropyl-5-[(2R,6R)-2,6…

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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) 0.98 9.59 -49.16 0 7 -1 83 311.387 5 ↓

Analogs

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Popular Name: 2-[[4-cyclopropyl-5-[(2R)-2-methylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-cyclopropyl-5-[(2R)-2-meth…

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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) 0.62 8.72 -49.5 0 7 -1 83 297.36 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-cyclopropyl-5-[(2S)-2-methylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-cyclopropyl-5-[(2S)-2-meth…

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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) 0.62 8.72 -49.56 0 7 -1 83 297.36 5 ↓

Analogs

42778897
42778897
42778899
42778899
42778901
42778901
42778903
42778903
42778913
42778913

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Popular Name: 2-[[4-cyclopropyl-5-[(3R)-3-methylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-cyclopropyl-5-[(3R)-3-meth…

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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) 0.59 8.76 -49.66 0 7 -1 83 297.36 5 ↓

Analogs

42778897
42778897
42778899
42778899
42778901
42778901
42778903
42778903
42778913
42778913

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-cyclopropyl-5-[(3S)-3-methylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-cyclopropyl-5-[(3S)-3-meth…

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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) 0.59 8.79 -49.54 0 7 -1 83 297.36 5 ↓

Analogs

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Popular Name: 2-[[4-cyclopropyl-5-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-cyclopropyl-5-[(2R,5R)-2,5…

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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) 0.95 9.48 -49.63 0 7 -1 83 311.387 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-cyclopropyl-5-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-cyclopropyl-5-[(2S,5R)-2,5…

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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) 0.95 9.52 -49.36 0 7 -1 83 311.387 5 ↓

Analogs

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Popular Name: 2-[[4-cyclopropyl-5-[(2R)-2-ethylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-cyclopropyl-5-[(2R)-2-ethy…

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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) 1.12 9.56 -49.33 0 7 -1 83 311.387 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-cyclopropyl-5-[(2S)-2-ethylmorpholin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-cyclopropyl-5-[(2S)-2-ethy…

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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) 1.12 9.56 -49.44 0 7 -1 83 311.387 6 ↓

Analogs

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Popular Name: 4-(4-cyclopropyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)morpholine 4-(4-cyclopropyl-5-ethylsulfanyl…

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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) 1.39 8.07 -11.72 0 5 0 43 254.359 4 ↓

Analogs

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Popular Name: (2S)-2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]pentanedinitrile (2S)-2-[(4-cyclopropyl-5-morphol…

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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) 0.90 10.23 -22.25 0 7 0 91 332.433 7 ↓

Analogs

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Popular Name: (2R)-2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]pentanedinitrile (2R)-2-[(4-cyclopropyl-5-morphol…

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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) 0.90 10.23 -22.17 0 7 0 91 332.433 7 ↓

Analogs

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Popular Name: 2-[[4-cyclopropyl-5-(3,3-dimethylmorpholin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-cyclopropyl-5-(3,3-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) 1.07 9.27 -50.28 0 7 -1 83 311.387 5 ↓

Parameters Provided:

ring.id = 114787
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 = 114787 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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