UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42579800
42579800
42579803
42579803
42579805
42579805

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Popular Name: (2S)-2-[[(1S)-1-cyclohexylethyl]amino]-1-pyrrolidin-1-yl-propan-1-one (2S)-2-[[(1S)-1-cyclohexylethyl]…

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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 7.11 -36.05 2 3 1 37 253.41 4 ↓

Analogs

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Popular Name: (2S)-2-[[(1R)-1-cyclohexylethyl]amino]-1-pyrrolidin-1-yl-propan-1-one (2S)-2-[[(1R)-1-cyclohexylethyl]…

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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 7.1 -36.34 2 3 1 37 253.41 4 ↓

Analogs

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Popular Name: (2R)-2-[[(1S)-1-cyclohexylethyl]amino]-1-pyrrolidin-1-yl-propan-1-one (2R)-2-[[(1S)-1-cyclohexylethyl]…

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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 7.08 -35.33 2 3 1 37 253.41 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(1R)-1-cyclohexylethyl]amino]-1-pyrrolidin-1-yl-propan-1-one (2R)-2-[[(1R)-1-cyclohexylethyl]…

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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 7.24 -35.86 2 3 1 37 253.41 4 ↓

Analogs

42579494
42579494
42579497
42579497
42579500
42579500

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Popular Name: 2-[[(1S)-1-cyclohexylethyl]amino]-1-pyrrolidin-1-yl-ethanone 2-[[(1S)-1-cyclohexylethyl]amino…

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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) 2.47 6.91 -38.96 2 3 1 37 239.383 4 ↓
Hi High (pH 8-9.5) 2.47 5.7 -7.27 1 3 0 32 238.375 4 ↓

Analogs

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Popular Name: 2-[[(1R)-1-cyclohexylethyl]amino]-1-pyrrolidin-1-yl-ethanone 2-[[(1R)-1-cyclohexylethyl]amino…

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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) 2.47 6.79 -39.41 2 3 1 37 239.383 4 ↓
Hi High (pH 8-9.5) 2.47 5.69 -7.28 1 3 0 32 238.375 4 ↓

Analogs

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Popular Name: (2S)-2-[[(1S)-1-cyclohexylpropyl]amino]-1-pyrrolidin-1-yl-propan-1-one (2S)-2-[[(1S)-1-cyclohexylpropyl…

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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) 3.34 7.64 -35.53 2 3 1 37 267.437 5 ↓

Analogs

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Popular Name: (2S)-2-[[(1R)-1-cyclohexylpropyl]amino]-1-pyrrolidin-1-yl-propan-1-one (2S)-2-[[(1R)-1-cyclohexylpropyl…

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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) 3.34 7.83 -34.86 2 3 1 37 267.437 5 ↓

Analogs

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Popular Name: (2R)-2-[[(1S)-1-cyclohexylpropyl]amino]-1-pyrrolidin-1-yl-propan-1-one (2R)-2-[[(1S)-1-cyclohexylpropyl…

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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) 3.34 7.89 -34.7 2 3 1 37 267.437 5 ↓

Analogs

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Popular Name: (2R)-2-[[(1R)-1-cyclohexylpropyl]amino]-1-pyrrolidin-1-yl-propan-1-one (2R)-2-[[(1R)-1-cyclohexylpropyl…

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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) 3.34 7.95 -35.14 2 3 1 37 267.437 5 ↓

Analogs

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Popular Name: 2-[[(1S)-1-cyclohexylpropyl]amino]-1-pyrrolidin-1-yl-ethanone 2-[[(1S)-1-cyclohexylpropyl]amin…

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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) 3.01 7.49 -37.11 2 3 1 37 253.41 5 ↓

Analogs

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Popular Name: 2-[[(1R)-1-cyclohexylpropyl]amino]-1-pyrrolidin-1-yl-ethanone 2-[[(1R)-1-cyclohexylpropyl]amin…

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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) 3.01 7.55 -38.43 2 3 1 37 253.41 5 ↓

Analogs

42863440
42863440
42863445
42863445
42863448
42863448

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Popular Name: (2S)-2-(cyclohexylmethylamino)-1-pyrrolidin-1-yl-propan-1-one (2S)-2-(cyclohexylmethylamino)-1…

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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) 2.47 6.81 -38.76 2 3 1 37 239.383 4 ↓

Analogs

42863440
42863440
42863445
42863445
42863448
42863448

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Popular Name: (2R)-2-(cyclohexylmethylamino)-1-pyrrolidin-1-yl-propan-1-one (2R)-2-(cyclohexylmethylamino)-1…

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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) 2.47 6.85 -38.96 2 3 1 37 239.383 4 ↓

Analogs

37818868
37818868
37818896
37818896
42862725
42862725
42862728
42862728
42862731
42862731

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Popular Name: 2-(cyclohexylmethylamino)-1-pyrrolidin-1-yl-ethanone 2-(cyclohexylmethylamino)-1-pyrr…

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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) 1.79 6.52 -41.89 2 3 1 37 225.356 4 ↓

Parameters Provided:

ring.id = 221367
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 = 221367 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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