UCSF
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Analogs

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Popular Name: (1S,2R)-2-[[(1S)-1-(3-thienyl)ethyl]carbamoyl]cyclopropanecarboxylic (1S,2R)-2-[[(1S)-1-(3-thienyl)et…

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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) 1.31 5.43 -51.38 1 4 -1 69 238.288 4 ↓
Lo Low (pH 4.5-6) 1.31 3.46 -13.73 2 4 0 66 239.296 4 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(1R)-1-(3-thienyl)ethyl]carbamoyl]cyclopropanecarboxylic (1S,2R)-2-[[(1R)-1-(3-thienyl)et…

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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) 1.31 5.4 -52.7 1 4 -1 69 238.288 4 ↓
Lo Low (pH 4.5-6) 1.31 3.46 -13.89 2 4 0 66 239.296 4 ↓

Analogs

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Popular Name: (1S,2S)-2-[[(1S)-1-(3-thienyl)ethyl]carbamoyl]cyclopropanecarboxylic (1S,2S)-2-[[(1S)-1-(3-thienyl)et…

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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) 1.31 5.48 -48.19 1 4 -1 69 238.288 4 ↓
Lo Low (pH 4.5-6) 1.31 3.49 -9.56 2 4 0 66 239.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R)-1-(3-thienyl)ethyl]carbamoyl]cyclopropanecarboxylic (1S,2S)-2-[[(1R)-1-(3-thienyl)et…

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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) 1.31 5.48 -47.82 1 4 -1 69 238.288 4 ↓
Lo Low (pH 4.5-6) 1.31 3.49 -9.24 2 4 0 66 239.296 4 ↓

Analogs

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Popular Name: 1-[[(1S)-1-(3-thienyl)ethyl]carbamoyl]cyclopropanecarboxylic 1-[[(1S)-1-(3-thienyl)ethyl]carb…

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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) 0.66 5.52 -42.05 1 4 -1 69 238.288 4 ↓
Lo Low (pH 4.5-6) 0.66 3.69 -8.76 2 4 0 66 239.296 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1R)-1-(3-thienyl)ethyl]carbamoyl]cyclopropanecarboxylic 1-[[(1R)-1-(3-thienyl)ethyl]carb…

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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) 0.66 5.52 -42.29 1 4 -1 69 238.288 4 ↓
Lo Low (pH 4.5-6) 0.66 3.69 -8.82 2 4 0 66 239.296 4 ↓

Analogs

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Popular Name: N-[(1S)-1-(hydroxymethyl)propyl]-N-(3-thienylmethyl)cyclopropanecarboxamide N-[(1S)-1-(hydroxymethyl)propyl]…

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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) 1.75 5.15 -8.38 1 3 0 41 253.367 6 ↓

Analogs

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Popular Name: N-[(1R)-1-(hydroxymethyl)propyl]-N-(3-thienylmethyl)cyclopropanecarboxamide N-[(1R)-1-(hydroxymethyl)propyl]…

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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) 1.75 4.86 -8.02 1 3 0 41 253.367 6 ↓

Analogs

42931063
42931063
44822862
44822862
44822863
44822863
44822866
44822866
44822867
44822867

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Popular Name: 1-cyano-N-(3-thienylmethyl)cyclopropanecarboxamide 1-cyano-N-(3-thienylmethyl)cyclo…

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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) 0.64 4.25 -6.89 1 3 0 53 206.27 3 ↓

Analogs

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Popular Name: 1-cyano-N-(2-methoxyethyl)-N-(3-thienylmethyl)cyclopropanecarboxamide 1-cyano-N-(2-methoxyethyl)-N-(3-…

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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) 0.87 6.56 -8.06 0 4 0 53 264.35 6 ↓

Analogs

44822861
44822861
44822862
44822862
44822863
44822863
44822865
44822865
44822866
44822866

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Popular Name: 1-cyano-N-propyl-N-(3-thienylmethyl)cyclopropanecarboxamide 1-cyano-N-propyl-N-(3-thienylmet…

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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) 1.76 7.6 -6.59 0 3 0 44 248.351 5 ↓

Analogs

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Popular Name: 1-cyano-N-(3-thienylmethyl)-N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide 1-cyano-N-(3-thienylmethyl)-N-(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) 1.81 7.19 -9.41 0 3 0 44 288.294 5 ↓

Parameters Provided:

ring.id = 210830
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 = 210830 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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