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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41265380
41265380
59555469
59555469
59555470
59555470
59555471
59555471
59555472
59555472

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-1,3-benzodioxol-5-yl-[(2S)-pyrrolidin-2-yl]methanol (S)-1,3-benzodioxol-5-yl-[(2S)-p…

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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) 1.19 2.19 -40.88 3 4 1 55 222.264 2 ↓
Hi High (pH 8-9.5) 1.19 1.29 -5.09 2 4 0 51 221.256 2 ↓

Analogs

41265380
41265380
59555469
59555469
59555470
59555470
59555471
59555471
59555472
59555472

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-1,3-benzodioxol-5-yl-[(2S)-pyrrolidin-2-yl]methanol (R)-1,3-benzodioxol-5-yl-[(2S)-p…

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) 1.19 1.75 -41.9 3 4 1 55 222.264 2 ↓
Hi High (pH 8-9.5) 1.19 0.59 -6.6 2 4 0 51 221.256 2 ↓

Analogs

41265380
41265380
59555469
59555469
59555470
59555470
59555471
59555471
59555472
59555472

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-1,3-benzodioxol-5-yl-[(2R)-pyrrolidin-2-yl]methanol (S)-1,3-benzodioxol-5-yl-[(2R)-p…

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) 1.19 1.81 -42.99 3 4 1 55 222.264 2 ↓
Hi High (pH 8-9.5) 1.19 0.41 -6.76 2 4 0 51 221.256 2 ↓

Analogs

41265380
41265380
59555469
59555469
59555470
59555470
59555471
59555471
59555472
59555472

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-1,3-benzodioxol-5-yl-[(2R)-pyrrolidin-2-yl]methanol (R)-1,3-benzodioxol-5-yl-[(2R)-p…

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) 1.19 2.36 -43.33 3 4 1 55 222.264 2 ↓
Hi High (pH 8-9.5) 1.19 0.99 -6.43 2 4 0 51 221.256 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-[(2S)-pyrrolidin-2-yl]methanol (S)-(7-bromo-1,3-benzodioxol-5-y…

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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) 1.93 2.8 -43.12 3 4 1 55 301.16 2 ↓
Hi High (pH 8-9.5) 1.93 1.9 -4.89 2 4 0 51 300.152 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-bromo-1,3-benzodioxol-5-yl)-[(2S)-pyrrolidin-2-yl]methanol (R)-(7-bromo-1,3-benzodioxol-5-y…

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) 1.93 2.37 -44.15 3 4 1 55 301.16 2 ↓
Hi High (pH 8-9.5) 1.93 1.21 -5.64 2 4 0 51 300.152 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-bromo-1,3-benzodioxol-5-yl)-[(2R)-pyrrolidin-2-yl]methanol (S)-(7-bromo-1,3-benzodioxol-5-y…

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) 1.93 2.42 -44.43 3 4 1 55 301.16 2 ↓
Hi High (pH 8-9.5) 1.93 1.05 -6.37 2 4 0 51 300.152 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-bromo-1,3-benzodioxol-5-yl)-[(2R)-pyrrolidin-2-yl]methanol (R)-(7-bromo-1,3-benzodioxol-5-y…

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) 1.93 2.99 -42.68 3 4 1 55 301.16 2 ↓
Hi High (pH 8-9.5) 1.93 1.62 -6.03 2 4 0 51 300.152 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-chloro-1,3-benzodioxol-5-yl)-[(2S)-pyrrolidin-2-yl]methanol (S)-(7-chloro-1,3-benzodioxol-5-…

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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) 1.80 2.7 -43.23 3 4 1 55 256.709 2 ↓
Hi High (pH 8-9.5) 1.80 1.8 -5.03 2 4 0 51 255.701 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-chloro-1,3-benzodioxol-5-yl)-[(2S)-pyrrolidin-2-yl]methanol (R)-(7-chloro-1,3-benzodioxol-5-…

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) 1.80 2.26 -44.32 3 4 1 55 256.709 2 ↓
Hi High (pH 8-9.5) 1.80 1.1 -5.81 2 4 0 51 255.701 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(7-chloro-1,3-benzodioxol-5-yl)-[(2R)-pyrrolidin-2-yl]methanol (S)-(7-chloro-1,3-benzodioxol-5-…

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) 1.80 2.32 -44.64 3 4 1 55 256.709 2 ↓
Hi High (pH 8-9.5) 1.80 0.94 -6.52 2 4 0 51 255.701 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(7-chloro-1,3-benzodioxol-5-yl)-[(2R)-pyrrolidin-2-yl]methanol (R)-(7-chloro-1,3-benzodioxol-5-…

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) 1.80 2.88 -43.09 3 4 1 55 256.709 2 ↓
Hi High (pH 8-9.5) 1.80 1.51 -6.13 2 4 0 51 255.701 2 ↓

Parameters Provided:

ring.id = 28887
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 = 28887 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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