UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R,2S)-N1-allyl-N2-(2-furylmethyl)-N2-prop-2-ynyl-cyclohexane-1,2-dicarboxamide (1R,2S)-N1-allyl-N2-(2-furylmeth…

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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) 2.38 8.86 -16.44 1 5 0 63 328.412 7 ↓

Analogs

35660276
35660276
35702082
35702082

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Popular Name: 1-amino-N-isopropyl-N-[(5-methyl-2-furyl)methyl]cyclohexanecarboxamide 1-amino-N-isopropyl-N-[(5-methyl…

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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) 2.60 6.58 -45.52 3 4 1 61 279.404 4 ↓
Mid Mid (pH 6-8) 2.60 6.27 -5.94 2 4 0 59 278.396 4 ↓

Analogs

15063005
15063005
15063007
15063007

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Popular Name: 4-amino-N-isopropyl-N-[(5-methyl-2-furyl)methyl]cyclohexanecarboxamide 4-amino-N-isopropyl-N-[(5-methyl…

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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 6.3 -53.08 3 4 1 61 279.404 4 ↓

Analogs

40515266
40515266
35843732
35843732

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Popular Name: 1-amino-N-[(5-bromo-2-furyl)methyl]-N-methyl-cyclohexanecarboxamide 1-amino-N-[(5-bromo-2-furyl)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) 2.64 4.68 -46.08 3 4 1 61 316.219 3 ↓
Mid Mid (pH 6-8) 2.64 4.39 -5.62 2 4 0 59 315.211 3 ↓

Analogs

40515266
40515266
40515268
40515268

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Popular Name: 4-amino-N-[(5-bromo-2-furyl)methyl]-N-methyl-cyclohexanecarboxamide 4-amino-N-[(5-bromo-2-furyl)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) 1.43 4.86 -50.68 3 4 1 61 316.219 3 ↓

Analogs

57614618
57614618
35702082
35702082

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Popular Name: 1-amino-N-(2-cyanoethyl)-N-(2-furylmethyl)cyclohexanecarboxamide 1-amino-N-(2-cyanoethyl)-N-(2-fu…

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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) 1.16 5.75 -54.74 3 5 1 85 276.36 5 ↓
Mid Mid (pH 6-8) 1.16 5.53 -10.84 2 5 0 83 275.352 5 ↓

Analogs

57614513
57614513
57614523
57614523
57614528
57614528
57614618
57614618
60625932
60625932

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-(2-cyanoethyl)-N-(2-furylmethyl)cyclohexanecarboxamide 4-amino-N-(2-cyanoethyl)-N-(2-fu…

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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) -0.05 5.36 -55.44 3 5 1 85 276.36 5 ↓

Analogs

35123290
35123290
35123292
35123292
35123294
35123294
35123296
35123296

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[ethyl(2-furylmethyl)carbamoyl]cyclohexanecarboxylic (1S,2R)-2-[ethyl(2-furylmethyl)c…

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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) 2.10 8.11 -58.01 0 5 -1 74 278.328 5 ↓
Lo Low (pH 4.5-6) 2.10 6.64 -11.4 1 5 0 71 279.336 5 ↓

Analogs

35123290
35123290
35123292
35123292
35123294
35123294
35123296
35123296

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[ethyl(2-furylmethyl)carbamoyl]cyclohexanecarboxylic (1S,2S)-2-[ethyl(2-furylmethyl)c…

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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) 2.10 8.93 -60.16 0 5 -1 74 278.328 5 ↓
Lo Low (pH 4.5-6) 2.10 6.83 -12.42 1 5 0 71 279.336 5 ↓

Analogs

35123290
35123290
35123292
35123292
35123294
35123294
35123296
35123296

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[ethyl(2-furylmethyl)carbamoyl]cyclohexanecarboxylic (1R,2R)-2-[ethyl(2-furylmethyl)c…

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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) 2.10 8.29 -61.29 0 5 -1 74 278.328 5 ↓
Lo Low (pH 4.5-6) 2.10 6.8 -11.54 1 5 0 71 279.336 5 ↓

Analogs

35123290
35123290
35123292
35123292
35123294
35123294
35123296
35123296

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[ethyl(2-furylmethyl)carbamoyl]cyclohexanecarboxylic (1R,2S)-2-[ethyl(2-furylmethyl)c…

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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) 2.10 8.7 -59.11 0 5 -1 74 278.328 5 ↓
Lo Low (pH 4.5-6) 2.10 6.6 -12.41 1 5 0 71 279.336 5 ↓

Analogs

40515266
40515266
35123290
35123290
35123292
35123292
35123294
35123294
35123296
35123296

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[(5-bromo-2-furyl)methyl-methyl-carbamoyl]cyclohexanecarboxylic (1S,2R)-2-[(5-bromo-2-furyl)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) 2.65 7.92 -53.55 0 5 -1 74 343.197 4 ↓
Lo Low (pH 4.5-6) 2.65 6.44 -9.72 1 5 0 71 344.205 4 ↓

Analogs

40515266
40515266
35123290
35123290
35123292
35123292
35123294
35123294
35123296
35123296

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[(5-bromo-2-furyl)methyl-methyl-carbamoyl]cyclohexanecarboxylic (1S,2S)-2-[(5-bromo-2-furyl)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) 2.65 8.84 -57.34 0 5 -1 74 343.197 4 ↓
Lo Low (pH 4.5-6) 2.65 6.8 -11.07 1 5 0 71 344.205 4 ↓

Analogs

40515266
40515266
35123290
35123290
35123292
35123292
35123294
35123294
35123296
35123296

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(5-bromo-2-furyl)methyl-methyl-carbamoyl]cyclohexanecarboxylic (1R,2R)-2-[(5-bromo-2-furyl)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) 2.65 8.1 -56.39 0 5 -1 74 343.197 4 ↓
Lo Low (pH 4.5-6) 2.65 6.61 -9.73 1 5 0 71 344.205 4 ↓

Analogs

40515266
40515266
35123290
35123290
35123292
35123292
35123294
35123294
35123296
35123296

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(5-bromo-2-furyl)methyl-methyl-carbamoyl]cyclohexanecarboxylic (1R,2S)-2-[(5-bromo-2-furyl)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) 2.65 8.61 -56.53 0 5 -1 74 343.197 4 ↓
Lo Low (pH 4.5-6) 2.65 6.57 -11.16 1 5 0 71 344.205 4 ↓

Parameters Provided:

ring.id = 295356
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 = 295356 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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