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

Analogs

35501580
35501580
35501581
35501581
35501629
35501629
35501630
35501630
35501642
35501642

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Popular Name: (1R)-1-(1-adamantyl)-1-(3,4-dichlorophenyl)-N-methyl-methanamine (1R)-1-(1-adamantyl)-1-(3,4-dich…

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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) 5.90 10.6 -48.48 2 1 1 17 325.303 3 ↓

Analogs

35501580
35501580
35501581
35501581
35501629
35501629
35501630
35501630
35501642
35501642

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(1-adamantyl)-1-(3,4-dichlorophenyl)-N-methyl-methanamine (1S)-1-(1-adamantyl)-1-(3,4-dich…

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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) 5.90 10.66 -48.53 2 1 1 17 325.303 3 ↓

Analogs

35501947
35501947
35501948
35501948
35501996
35501996
35502005
35502005
35502006
35502006

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Popular Name: (1R)-1-(1-adamantyl)-1-(2,5-dichlorophenyl)-N-methyl-methanamine (1R)-1-(1-adamantyl)-1-(2,5-dich…

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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) 5.90 10.36 -40.56 2 1 1 17 325.303 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(1-adamantyl)-1-(2,5-dichlorophenyl)-N-methyl-methanamine (1S)-1-(1-adamantyl)-1-(2,5-dich…

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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) 5.90 10.3 -40.82 2 1 1 17 325.303 3 ↓

Analogs

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Popular Name: (R)-1-adamantyl-(4-bromophenyl)methanamine (R)-1-adamantyl-(4-bromophenyl)m…

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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) 3.17 8.45 -55.24 3 1 1 28 321.282 2 ↓

Analogs

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Popular Name: (S)-1-adamantyl-(4-bromophenyl)methanamine (S)-1-adamantyl-(4-bromophenyl)m…

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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) 3.17 8.44 -55.19 3 1 1 28 321.282 2 ↓

Analogs

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Popular Name: (R)-1-adamantyl-(2,3-difluorophenyl)methanol (R)-1-adamantyl-(2,3-difluorophe…

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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) 4.29 7.61 -5.97 1 1 0 20 278.342 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-1-adamantyl-(2,3-difluorophenyl)methanol (S)-1-adamantyl-(2,3-difluorophe…

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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) 4.29 7.61 -5.97 1 1 0 20 278.342 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-1-adamantyl-(2,3-difluorophenyl)methanamine (R)-1-adamantyl-(2,3-difluorophe…

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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) 2.60 7.94 -55.57 3 1 1 28 278.366 2 ↓
Hi High (pH 8-9.5) 2.60 7.63 -5.05 2 1 0 26 277.358 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-1-adamantyl-(2,3-difluorophenyl)methanamine (S)-1-adamantyl-(2,3-difluorophe…

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) 2.60 7.95 -56.12 3 1 1 28 278.366 2 ↓
Hi High (pH 8-9.5) 2.60 7.67 -4.91 2 1 0 26 277.358 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(1-adamantyl)-1-(2,3-difluorophenyl)-N-methyl-methanamine (1R)-1-(1-adamantyl)-1-(2,3-difl…

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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) 4.85 9.63 -48.14 2 1 1 17 292.393 3 ↓
Hi High (pH 8-9.5) 4.85 8.79 -4.65 1 1 0 12 291.385 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(1-adamantyl)-1-(2,3-difluorophenyl)-N-methyl-methanamine (1S)-1-(1-adamantyl)-1-(2,3-difl…

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) 4.85 9.6 -48.53 2 1 1 17 292.393 3 ↓
Hi High (pH 8-9.5) 4.85 9 -4.09 1 1 0 12 291.385 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-1-adamantyl-(4-methoxy-3-methyl-phenyl)methanamine (R)-1-adamantyl-(4-methoxy-3-met…

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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 7.93 -50.29 3 2 1 37 286.439 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-1-adamantyl-(4-methoxy-3-methyl-phenyl)methanamine (S)-1-adamantyl-(4-methoxy-3-met…

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) 2.80 7.93 -50.23 3 2 1 37 286.439 3 ↓

Parameters Provided:

ring.id = 18288
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 = 18288 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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