UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1S)-1-(4-pyridyl)ethyl]cyclopropanecarboxamide (1R,3S)-2,2-dimethyl-3-(2-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) 3.43 7.97 -8.38 1 3 0 42 272.392 4 ↓
Lo Low (pH 4.5-6) 3.43 8.43 -41.02 2 3 1 43 273.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1R)-1-(4-pyridyl)ethyl]cyclopropanecarboxamide (1R,3S)-2,2-dimethyl-3-(2-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) 3.43 7.97 -8.34 1 3 0 42 272.392 4 ↓
Lo Low (pH 4.5-6) 3.43 8.43 -41.09 2 3 1 43 273.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1S)-1-(4-pyridyl)ethyl]cyclopropanecarboxamide (1S,3S)-2,2-dimethyl-3-(2-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) 3.43 8.54 -8.07 1 3 0 42 272.392 4 ↓
Lo Low (pH 4.5-6) 3.43 9 -42.05 2 3 1 43 273.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1R)-1-(4-pyridyl)ethyl]cyclopropanecarboxamide (1S,3S)-2,2-dimethyl-3-(2-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) 3.43 8.54 -8.33 1 3 0 42 272.392 4 ↓
Lo Low (pH 4.5-6) 3.43 9 -41.85 2 3 1 43 273.4 4 ↓

Analogs

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Popular Name: N-[(2-methoxy-4-pyridyl)methyl]cyclopropanecarboxamide N-[(2-methoxy-4-pyridyl)methyl]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) 0.80 1.8 -8.71 1 4 0 51 206.245 4 ↓

Analogs

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Popular Name: (1S,2R)-2-[ethyl(4-pyridylmethyl)carbamoyl]cyclopropanecarboxylic (1S,2R)-2-[ethyl(4-pyridylmethyl…

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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) 0.50 6.78 -55.02 0 5 -1 73 247.274 5 ↓
Lo Low (pH 4.5-6) 0.50 7.24 -70.57 1 5 0 75 248.282 5 ↓
Lo Low (pH 4.5-6) 0.50 5.39 -15.64 1 5 0 71 248.282 5 ↓

Analogs

61721396
61721396
61721397
61721397
61721398
61721398
61721399
61721399
40384
40384

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[ethyl(4-pyridylmethyl)carbamoyl]cyclopropanecarboxylic (1S,2S)-2-[ethyl(4-pyridylmethyl…

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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) 0.50 7.02 -51.57 0 5 -1 73 247.274 5 ↓
Lo Low (pH 4.5-6) 0.50 7.48 -65.03 1 5 0 75 248.282 5 ↓
Lo Low (pH 4.5-6) 0.50 5.02 -11.5 1 5 0 71 248.282 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[ethyl(4-pyridylmethyl)carbamoyl]cyclopropanecarboxylic (1R,2R)-2-[ethyl(4-pyridylmethyl…

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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) 0.50 6.96 -51.01 0 5 -1 73 247.274 5 ↓
Lo Low (pH 4.5-6) 0.50 7.42 -70.28 1 5 0 75 248.282 5 ↓
Lo Low (pH 4.5-6) 0.50 4.97 -10.95 1 5 0 71 248.282 5 ↓

Analogs

61721396
61721396
61721397
61721397
61721398
61721398
61721399
61721399
40384
40384

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[ethyl(4-pyridylmethyl)carbamoyl]cyclopropanecarboxylic (1R,2S)-2-[ethyl(4-pyridylmethyl…

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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) 0.50 6.87 -55.18 0 5 -1 73 247.274 5 ↓
Lo Low (pH 4.5-6) 0.50 7.33 -48.16 1 5 0 75 248.282 5 ↓
Lo Low (pH 4.5-6) 0.50 4.97 -13.4 1 5 0 71 248.282 5 ↓

Analogs

61721396
61721396
61721397
61721397
61721398
61721398
61721399
61721399
35720345
35720345

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[methyl-[(1S)-1-(4-pyridyl)ethyl]carbamoyl]cyclopropanecarboxylic (1S,2R)-2-[methyl-[(1S)-1-(4-pyr…

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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) 0.68 6.81 -53.8 0 5 -1 73 247.274 4 ↓
Lo Low (pH 4.5-6) 0.68 7.27 -73.31 1 5 0 75 248.282 4 ↓
Lo Low (pH 4.5-6) 0.68 5.77 -43.89 2 5 1 72 249.29 4 ↓

Analogs

61721396
61721396
61721397
61721397
61721398
61721398
61721399
61721399
35720345
35720345

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[methyl-[(1R)-1-(4-pyridyl)ethyl]carbamoyl]cyclopropanecarboxylic (1S,2R)-2-[methyl-[(1R)-1-(4-pyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.68 6.18 -55.67 0 5 -1 73 247.274 4 ↓
Lo Low (pH 4.5-6) 0.68 6.64 -54.85 1 5 0 75 248.282 4 ↓
Lo Low (pH 4.5-6) 0.68 5.19 -43.37 2 5 1 72 249.29 4 ↓

Analogs

61721396
61721396
61721397
61721397
61721398
61721398
61721399
61721399
35720345
35720345

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[methyl-[(1S)-1-(4-pyridyl)ethyl]carbamoyl]cyclopropanecarboxylic (1S,2S)-2-[methyl-[(1S)-1-(4-pyr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.68 6.97 -50.63 0 5 -1 73 247.274 4 ↓
Lo Low (pH 4.5-6) 0.68 7.43 -67.66 1 5 0 75 248.282 4 ↓
Lo Low (pH 4.5-6) 0.68 5.44 -40.05 2 5 1 72 249.29 4 ↓

Analogs

61721396
61721396
61721397
61721397
61721398
61721398
61721399
61721399
35720345
35720345

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[methyl-[(1R)-1-(4-pyridyl)ethyl]carbamoyl]cyclopropanecarboxylic (1S,2S)-2-[methyl-[(1R)-1-(4-pyr…

Find On: PubMed — Wikipedia — Google

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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) 0.68 6.23 -49.68 0 5 -1 73 247.274 4 ↓
Lo Low (pH 4.5-6) 0.68 6.68 -71.06 1 5 0 75 248.282 4 ↓
Lo Low (pH 4.5-6) 0.68 4.69 -42.17 2 5 1 72 249.29 4 ↓

Parameters Provided:

ring.id = 64134
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 = 64134 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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