UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3806171
3806171
13905228
13905228
18529
18529

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Popular Name: (2R)-spiro[chromane-2,3'-pyrrolidine] (2R)-spiro[chromane-2,3'-pyrroli…

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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) 2.48 5.18 -41.11 2 2 1 26 190.266 0 ↓

Analogs

3806171
3806171
13905228
13905228
18529
18529

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Popular Name: (2S)-spiro[chromane-2,3'-pyrrolidine] (2S)-spiro[chromane-2,3'-pyrroli…

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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) 2.48 5.11 -40.85 2 2 1 26 190.266 0 ↓

Analogs

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Popular Name: (2R)-8-bromo-6-methyl-spiro[chromane-2,3'-pyrrolidine] (2R)-8-bromo-6-methyl-spiro[chro…

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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) 3.64 6.51 -41.15 2 2 1 26 283.189 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-bromo-8-isopropyl-spiro[chromane-2,3'-pyrrolidine] (2R)-6-bromo-8-isopropyl-spiro[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) 4.23 7.81 -43.75 2 2 1 26 311.243 1 ↓

Analogs

19219224
19219224
19219228
19219228
19219230
19219230

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Popular Name: (2R,4R)-4-ethoxy-6-isopropyl-spiro[chromane-2,3'-pyrrolidine] (2R,4R)-4-ethoxy-6-isopropyl-spi…

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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) 3.86 7.08 -37.46 2 3 1 35 276.4 3 ↓

Analogs

35751763
35751763
35751761
35751761
35751759
35751759
35751757
35751757
35751743
35751743

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Popular Name: (2S,4R)-6-chloro-N,N,5,7-tetramethyl-spiro[chromane-2,3'-pyrrolidine]-4-amine (2S,4R)-6-chloro-N,N,5,7-tetrame…

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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) 3.45 7.42 -102.54 3 3 2 30 296.842 1 ↓
Hi High (pH 8-9.5) 3.45 5.98 -38.54 2 3 1 26 295.834 1 ↓

Analogs

59785713
59785713
59785717
59785717

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-4-morpholinospiro[chromane-2,3'-pyrrolidine] (2S,4R)-4-morpholinospiro[chroma…

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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) 1.89 3.48 -43.49 2 4 1 38 275.372 1 ↓
Hi High (pH 8-9.5) 1.89 2.06 -3.93 1 4 0 34 274.364 1 ↓
Lo Low (pH 4.5-6) 1.89 5.29 -104.87 3 4 2 40 276.38 1 ↓

Parameters Provided:

ring.id = 67841
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 = 67841 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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