UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[cyclohexyl-[(2S)-2-hydroxypropyl]amino]-N-(2-furylmethyl)acetamide 2-[cyclohexyl-[(2S)-2-hydroxypro…

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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) 2.24 4.52 -33.69 3 5 1 67 295.403 7 ↓
Hi High (pH 8-9.5) 2.24 2.4 -7.95 2 5 0 66 294.395 7 ↓

Analogs

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Popular Name: 2-[cyclohexyl-[(2R)-2-hydroxypropyl]amino]-N-(2-furylmethyl)acetamide 2-[cyclohexyl-[(2R)-2-hydroxypro…

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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) 2.24 4.55 -33.63 3 5 1 67 295.403 7 ↓
Hi High (pH 8-9.5) 2.24 2.07 -9.81 2 5 0 66 294.395 7 ↓

Analogs

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Popular Name: 2-[cyclohexyl-[(2S)-2-hydroxypropyl]amino]-N-[(1S)-1-(2-furyl)ethyl]acetamide 2-[cyclohexyl-[(2S)-2-hydroxypro…

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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) 2.80 4.92 -32.78 3 5 1 67 309.43 7 ↓
Hi High (pH 8-9.5) 2.80 3.2 -7.23 2 5 0 66 308.422 7 ↓

Analogs

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Popular Name: 2-[cyclohexyl-[(2R)-2-hydroxypropyl]amino]-N-[(1S)-1-(2-furyl)ethyl]acetamide 2-[cyclohexyl-[(2R)-2-hydroxypro…

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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) 2.80 5.36 -33.31 3 5 1 67 309.43 7 ↓
Hi High (pH 8-9.5) 2.80 2.88 -6.89 2 5 0 66 308.422 7 ↓

Analogs

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Popular Name: acetamide, 2-(cyclohexylamino)-N-(2-furanylmethyl)- acetamide, 2-(cyclohexylamino)-N…

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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) 2.27 4.34 -40.74 3 4 1 59 237.323 5 ↓
Hi High (pH 8-9.5) 2.27 3.15 -7.1 2 4 0 54 236.315 5 ↓

Analogs

34937108
34937108
34937109
34937109
34937110
34937110
34937111
34937111

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Popular Name: (2S)-2-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]-N-(2-furylmethyl)propanamide (2S)-2-[[(1S,2R,4R)-2,4-dimethyl…

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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) 2.34 6.34 -35.79 3 4 1 59 279.404 5 ↓
Hi High (pH 8-9.5) 2.34 5.69 -7.25 2 4 0 54 278.396 5 ↓

Analogs

34937108
34937108
34937109
34937109
34937110
34937110
34937111
34937111

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]amino]-N-(2-furylmethyl)propanamide (2S)-2-[[(1S,2R,4S)-2,4-dimethyl…

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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) 2.34 5.92 -37.18 3 4 1 59 279.404 5 ↓
Hi High (pH 8-9.5) 2.34 5.08 -7.19 2 4 0 54 278.396 5 ↓

Analogs

34937108
34937108
34937109
34937109
34937110
34937110
34937111
34937111

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]amino]-N-(2-furylmethyl)propanamide (2S)-2-[[(1R,2R,4R)-2,4-dimethyl…

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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) 2.34 6.11 -37.92 3 4 1 59 279.404 5 ↓
Hi High (pH 8-9.5) 2.34 5.31 -7.51 2 4 0 54 278.396 5 ↓

Analogs

34937108
34937108
34937109
34937109
34937110
34937110
34937111
34937111

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]-N-(2-furylmethyl)propanamide (2S)-2-[[(1R,2R,4S)-2,4-dimethyl…

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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) 2.34 5.88 -37.83 3 4 1 59 279.404 5 ↓
Hi High (pH 8-9.5) 2.34 5.09 -7.5 2 4 0 54 278.396 5 ↓

Analogs

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Popular Name: (2S)-2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2-furylmethyl)propanamide (2S)-2-[cyclohexyl(2-hydroxyethy…

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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) 1.71 3.74 -34.69 3 5 1 67 295.403 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2-furylmethyl)propanamide (2R)-2-[cyclohexyl(2-hydroxyethy…

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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) 1.71 5.07 -33.48 3 5 1 67 295.403 7 ↓

Analogs

34937112
34937112

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Popular Name: (2S)-N-(2-furylmethyl)-2-[(4-propylcyclohexyl)amino]propanamide (2S)-N-(2-furylmethyl)-2-[(4-pro…

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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) 3.11 7.12 -37.21 3 4 1 59 293.431 7 ↓
Hi High (pH 8-9.5) 3.11 6.44 -7.27 2 4 0 54 292.423 7 ↓

Analogs

34937112
34937112

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-furylmethyl)-2-[(4-propylcyclohexyl)amino]propanamide (2R)-N-(2-furylmethyl)-2-[(4-pro…

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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) 3.11 7.07 -37.12 3 4 1 59 293.431 7 ↓
Hi High (pH 8-9.5) 3.11 6.13 -6.51 2 4 0 54 292.423 7 ↓

Parameters Provided:

ring.id = 29491
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 = 29491 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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