UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1S,2R)-2-[[(1S)-1-cyclohexylethyl]carbamoyl]cyclopropanecarboxylic (1S,2R)-2-[[(1S)-1-cyclohexyleth…

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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) 2.39 6.55 -51.8 1 4 -1 69 238.307 4 ↓
Lo Low (pH 4.5-6) 2.39 4.58 -12.89 2 4 0 66 239.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropanecarboxylic (1S,2R)-2-[[(1R)-1-cyclohexyleth…

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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) 2.39 6.8 -54.34 1 4 -1 69 238.307 4 ↓
Lo Low (pH 4.5-6) 2.39 4.86 -13.19 2 4 0 66 239.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1S)-1-cyclohexylethyl]carbamoyl]cyclopropanecarboxylic (1S,2S)-2-[[(1S)-1-cyclohexyleth…

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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) 2.39 6.6 -47.5 1 4 -1 69 238.307 4 ↓
Lo Low (pH 4.5-6) 2.39 4.61 -8.3 2 4 0 66 239.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropanecarboxylic (1S,2S)-2-[[(1R)-1-cyclohexyleth…

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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) 2.39 6.88 -47.68 1 4 -1 69 238.307 4 ↓
Lo Low (pH 4.5-6) 2.39 4.89 -8.5 2 4 0 66 239.315 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1S)-1-cyclohexylpropyl]carbamoyl]cyclopropanecarboxylic (1S,2R)-2-[[(1S)-1-cyclohexylpro…

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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) 2.92 7.6 -50.37 1 4 -1 69 252.334 5 ↓
Lo Low (pH 4.5-6) 2.92 5.7 -9.96 2 4 0 66 253.342 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R)-1-cyclohexylpropyl]carbamoyl]cyclopropanecarboxylic (1S,2R)-2-[[(1R)-1-cyclohexylpro…

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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) 2.92 7.52 -53.51 1 4 -1 69 252.334 5 ↓
Lo Low (pH 4.5-6) 2.92 5.59 -11.91 2 4 0 66 253.342 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1S)-1-cyclohexylpropyl]carbamoyl]cyclopropanecarboxylic (1S,2S)-2-[[(1S)-1-cyclohexylpro…

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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) 2.92 7.48 -47.86 1 4 -1 69 252.334 5 ↓
Lo Low (pH 4.5-6) 2.92 5.5 -7.96 2 4 0 66 253.342 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R)-1-cyclohexylpropyl]carbamoyl]cyclopropanecarboxylic (1S,2S)-2-[[(1R)-1-cyclohexylpro…

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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) 2.92 7.62 -47.46 1 4 -1 69 252.334 5 ↓
Lo Low (pH 4.5-6) 2.92 5.62 -7.56 2 4 0 66 253.342 5 ↓

Analogs

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Popular Name: N-(cyclohexylmethyl)cyclopropanecarboxamide N-(cyclohexylmethyl)cyclopropane…

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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) 2.58 5.5 -6.56 1 2 0 29 181.279 3 ↓

Analogs

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Popular Name: N-[(4-ethylcyclohexyl)methyl]cyclopropanecarboxamide N-[(4-ethylcyclohexyl)methyl]cyc…

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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) 3.03 6.76 -6.41 1 2 0 29 209.333 4 ↓

Analogs

37895368
37895368
37895369
37895369
37895370
37895370
37895371
37895371
34926432
34926432

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[cyclohexylmethyl(methyl)carbamoyl]cyclopropanecarboxylic (1S,2R)-2-[cyclohexylmethyl(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) 2.30 7.87 -53.41 0 4 -1 60 238.307 4 ↓
Lo Low (pH 4.5-6) 2.30 5.94 -14.32 1 4 0 58 239.315 4 ↓

Analogs

37895368
37895368
37895369
37895369
37895370
37895370
37895371
37895371
34926432
34926432

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[cyclohexylmethyl(methyl)carbamoyl]cyclopropanecarboxylic (1S,2S)-2-[cyclohexylmethyl(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) 2.30 7.95 -49.93 0 4 -1 60 238.307 4 ↓
Lo Low (pH 4.5-6) 2.30 5.96 -8.74 1 4 0 58 239.315 4 ↓

Analogs

37895368
37895368
37895369
37895369
37895370
37895370
37895371
37895371
34926432
34926432

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[cyclohexylmethyl(methyl)carbamoyl]cyclopropanecarboxylic (1R,2R)-2-[cyclohexylmethyl(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) 2.30 7.96 -49.22 0 4 -1 60 238.307 4 ↓
Lo Low (pH 4.5-6) 2.30 5.96 -9.13 1 4 0 58 239.315 4 ↓

Analogs

37895368
37895368
37895369
37895369
37895370
37895370
37895371
37895371
34926432
34926432

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[cyclohexylmethyl(methyl)carbamoyl]cyclopropanecarboxylic (1R,2S)-2-[cyclohexylmethyl(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) 2.30 7.77 -54.1 0 4 -1 60 238.307 4 ↓
Lo Low (pH 4.5-6) 2.30 5.8 -13.33 1 4 0 58 239.315 4 ↓

Parameters Provided:

ring.id = 221211
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 = 221211 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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