UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11843693
11843693
55042086
55042086
55042087
55042087

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Popular Name: 4-[4-[[(5S)-7-(cyclobutylmethyl)-3,7-diazaspiro[4.5]decan-3-yl]methyl]phenyl]but-3-yn-1-ol 4-[4-[[(5S)-7-(cyclobutylmethyl)…

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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 0.2 -109.65 3 3 2 29 368.565 5 ↓

Analogs

55042086
55042086
55042087
55042087
11843692
11843692

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Popular Name: 4-[4-[[(5R)-7-(cyclobutylmethyl)-3,7-diazaspiro[4.5]decan-3-yl]methyl]phenyl]but-3-yn-1-ol 4-[4-[[(5R)-7-(cyclobutylmethyl)…

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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 0.19 -103.47 3 3 2 29 368.565 5 ↓

Analogs

11843692
11843692
11843693
11843693

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Popular Name: 4-[4-[[(5S)-7-(cyclobutylmethyl)-3,7-diazaspiro[4.5]decan-3-yl]methyl]phenyl]but-3-yn-1-ol 4-[4-[[(5S)-7-(cyclobutylmethyl)…

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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 9.97 -37.58 2 3 1 28 367.557 5 ↓

Analogs

11843692
11843692
11843693
11843693

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-[[(5R)-7-(cyclobutylmethyl)-3,7-diazaspiro[4.5]decan-3-yl]methyl]phenyl]but-3-yn-1-ol 4-[4-[[(5R)-7-(cyclobutylmethyl)…

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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 10.09 -40.33 2 3 1 28 367.557 5 ↓

Analogs

39380141
39380141

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Popular Name: (5S)-7-(cyclobutylmethyl)-3-[(4-fluoro-3-methoxy-phenyl)methyl]-3,7-diazaspiro[4.5]decane (5S)-7-(cyclobutylmethyl)-3-[(4-…

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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) 3.57 9.92 -39.65 1 3 1 17 347.498 5 ↓

Analogs

39380141
39380141

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Popular Name: (5R)-7-(cyclobutylmethyl)-3-[(4-fluoro-3-methoxy-phenyl)methyl]-3,7-diazaspiro[4.5]decane (5R)-7-(cyclobutylmethyl)-3-[(4-…

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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) 3.57 9.89 -42.07 1 3 1 17 347.498 5 ↓

Analogs

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Popular Name: methyl 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) 3.59 11.04 -38.71 1 4 1 34 357.518 6 ↓

Analogs

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Popular Name: methyl 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) 3.59 11.16 -42.1 1 4 1 34 357.518 6 ↓

Analogs

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Popular Name: (5S)-7-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-3,7-diazaspiro[4.5]decane (5S)-7-(cyclobutylmethyl)-3-[(4-…

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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) 3.48 9.84 -35.7 1 3 1 17 329.508 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-3,7-diazaspiro[4.5]decane (5R)-7-(cyclobutylmethyl)-3-[(4-…

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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) 3.48 9.61 -38.68 1 3 1 17 329.508 5 ↓

Analogs

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Popular Name: (5S)-7-(cyclobutylmethyl)-3-[(4-methoxy-3-methyl-phenyl)methyl]-3,7-diazaspiro[4.5]decane (5S)-7-(cyclobutylmethyl)-3-[(4-…

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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) 3.85 10.59 -35.89 1 3 1 17 343.535 5 ↓

Analogs

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Popular Name: (5R)-7-(cyclobutylmethyl)-3-[(4-methoxy-3-methyl-phenyl)methyl]-3,7-diazaspiro[4.5]decane (5R)-7-(cyclobutylmethyl)-3-[(4-…

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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) 3.85 10.56 -38.15 1 3 1 17 343.535 5 ↓

Analogs

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Popular Name: (5S)-7-(cyclobutylmethyl)-3-[(2-fluoro-5-methoxy-phenyl)methyl]-3,7-diazaspiro[4.5]decane (5S)-7-(cyclobutylmethyl)-3-[(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) 3.57 9.58 -36.65 1 3 1 17 347.498 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-7-(cyclobutylmethyl)-3-[(2-fluoro-5-methoxy-phenyl)methyl]-3,7-diazaspiro[4.5]decane (5R)-7-(cyclobutylmethyl)-3-[(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) 3.57 9.88 -37.86 1 3 1 17 347.498 5 ↓

Parameters Provided:

ring.id = 60690
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 = 60690 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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