UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: (2S)-N-(dicyclopropylmethyl)-1-(4-fluorophenyl)propan-2-amine (2S)-N-(dicyclopropylmethyl)-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) 4.12 9.82 -36.31 2 1 1 17 248.365 6 ↓

Analogs

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Popular Name: (2R)-N-(dicyclopropylmethyl)-1-(4-fluorophenyl)propan-2-amine (2R)-N-(dicyclopropylmethyl)-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) 4.12 10.3 -37.07 2 1 1 17 248.365 6 ↓

Analogs

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Popular Name: N-(dicyclopropylmethyl)-2-phenyl-ethanamine N-(dicyclopropylmethyl)-2-phenyl…

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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) 3.63 9.67 -37.83 2 1 1 17 216.348 6 ↓

Analogs

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Popular Name: (2S)-N1-(dicyclopropylmethyl)-2-phenyl-propane-1,2-diamine (2S)-N1-(dicyclopropylmethyl)-2-…

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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) 3.26 7.53 -37 4 2 1 43 245.39 6 ↓
Mid Mid (pH 6-8) 3.26 7.76 -127.05 5 2 2 44 246.398 6 ↓

Analogs

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Popular Name: (2R)-N1-(dicyclopropylmethyl)-2-phenyl-propane-1,2-diamine (2R)-N1-(dicyclopropylmethyl)-2-…

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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) 3.26 7.38 -33.47 4 2 1 43 245.39 6 ↓
Mid Mid (pH 6-8) 3.26 7.8 -126.01 5 2 2 44 246.398 6 ↓

Analogs

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Popular Name: N-(dicyclopropylmethyl)-2-(4-nitrophenyl)ethanamine N-(dicyclopropylmethyl)-2-(4-nit…

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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) 3.59 10.43 -52.6 2 4 1 62 261.345 7 ↓

Analogs

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Popular Name: 4-[(1S)-2-(dicyclopropylmethylamino)-1-hydroxy-ethyl]benzonitrile 4-[(1S)-2-(dicyclopropylmethylam…

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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 7.01 -47.29 3 3 1 61 257.357 6 ↓

Analogs

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Popular Name: 4-[(1R)-2-(dicyclopropylmethylamino)-1-hydroxy-ethyl]benzonitrile 4-[(1R)-2-(dicyclopropylmethylam…

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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 7.03 -47.41 3 3 1 61 257.357 6 ↓

Analogs

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Popular Name: (1S)-N'-(dicyclopropylmethyl)-1-phenyl-ethane-1,2-diamine (1S)-N'-(dicyclopropylmethyl)-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) 0.94 6.99 -37.39 4 2 1 43 231.363 6 ↓
Mid Mid (pH 6-8) 0.94 7.33 -133.49 5 2 2 44 232.371 6 ↓

Analogs

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Popular Name: (1R)-N'-(dicyclopropylmethyl)-1-phenyl-ethane-1,2-diamine (1R)-N'-(dicyclopropylmethyl)-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) 0.94 6.88 -33.66 4 2 1 43 231.363 6 ↓
Mid Mid (pH 6-8) 0.94 7.33 -132.45 5 2 2 44 232.371 6 ↓

Analogs

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Popular Name: 4-[2-(dicyclopropylmethylamino)ethyl]aniline 4-[2-(dicyclopropylmethylamino)e…

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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) 2.71 7.6 -37.02 4 2 1 43 231.363 6 ↓

Analogs

40976990
40976990

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Popular Name: 4-[2-(dicyclopropylmethylamino)ethyl]benzenesulfonamide 4-[2-(dicyclopropylmethylamino)e…

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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) 2.32 4.69 -50.73 4 4 1 77 295.428 7 ↓

Parameters Provided:

ring.id = 18075
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 = 18075 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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