Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_t377jdo1ufp6rqnd7nivts49j5, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-(1-methylpyrazol-4-yl)-1-(5-nitro-2-furyl)methanamine (1R)-N-methyl-1-(1-methylpyrazol…

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) 0.99 4.62 -53.4 2 7 1 93 237.239 4 ↓
Hi High (pH 8-9.5) 0.99 3.3 -14.26 1 7 0 89 236.231 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-(1-methylpyrazol-4-yl)-1-(5-nitro-2-furyl)methanamine (1S)-N-methyl-1-(1-methylpyrazol…

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) 0.99 4.51 -53.12 2 7 1 93 237.239 4 ↓
Hi High (pH 8-9.5) 0.99 3.3 -14.44 1 7 0 89 236.231 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-(5-methyl-2-furyl)-1-(1-methylpyrazol-4-yl)methanamine (1R)-N-methyl-1-(5-methyl-2-fury…

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) 1.13 4.74 -40.55 2 4 1 48 206.269 3 ↓
Hi High (pH 8-9.5) 1.13 3.41 -8.66 1 4 0 43 205.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-(5-methyl-2-furyl)-1-(1-methylpyrazol-4-yl)methanamine (1S)-N-methyl-1-(5-methyl-2-fury…

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) 1.13 4.62 -40.33 2 4 1 48 206.269 3 ↓
Hi High (pH 8-9.5) 1.13 3.4 -8.44 1 4 0 43 205.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-furyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (1R)-1-(2-furyl)-N-methyl-1-(1-m…

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) 0.91 3.92 -40.65 2 4 1 48 192.242 3 ↓
Hi High (pH 8-9.5) 0.91 2.59 -8.06 1 4 0 43 191.234 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-furyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (1S)-1-(2-furyl)-N-methyl-1-(1-m…

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) 0.91 3.8 -40.5 2 4 1 48 192.242 3 ↓
Hi High (pH 8-9.5) 0.91 2.59 -8.28 1 4 0 43 191.234 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-(3-methyl-2-furyl)-1-(1-methylpyrazol-4-yl)methanamine (1R)-N-methyl-1-(3-methyl-2-fury…

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) 1.28 4.52 -40.45 2 4 1 48 206.269 3 ↓
Hi High (pH 8-9.5) 1.28 3.19 -8.6 1 4 0 43 205.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-(3-methyl-2-furyl)-1-(1-methylpyrazol-4-yl)methanamine (1S)-N-methyl-1-(3-methyl-2-fury…

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) 1.28 4.38 -40.33 2 4 1 48 206.269 3 ↓
Hi High (pH 8-9.5) 1.28 3.16 -8.39 1 4 0 43 205.261 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5-bromo-2-furyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (1R)-1-(5-bromo-2-furyl)-N-methy…

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) 1.84 4.65 -43.02 2 4 1 48 271.138 3 ↓
Hi High (pH 8-9.5) 1.84 3.32 -8.32 1 4 0 43 270.13 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-bromo-2-furyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine (1S)-1-(5-bromo-2-furyl)-N-methy…

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) 1.84 4.53 -42.8 2 4 1 48 271.138 3 ↓
Hi High (pH 8-9.5) 1.84 3.32 -8.57 1 4 0 43 270.13 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-ethylpyrazol-4-yl)-(2-furyl)methanol (S)-(1-ethylpyrazol-4-yl)-(2-fur…

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) 0.87 2.66 -8.91 1 4 0 51 192.218 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(1-ethylpyrazol-4-yl)-(2-furyl)methanol (R)-(1-ethylpyrazol-4-yl)-(2-fur…

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) 0.87 2.54 -8.94 1 4 0 51 192.218 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-2-furyl-(1-propylpyrazol-4-yl)methanol (S)-2-furyl-(1-propylpyrazol-4-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) 1.37 3.42 -8.62 1 4 0 51 206.245 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-2-furyl-(1-propylpyrazol-4-yl)methanol (R)-2-furyl-(1-propylpyrazol-4-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) 1.37 3.3 -8.57 1 4 0 51 206.245 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-ethylpyrazol-4-yl)-(2-furyl)methanamine (S)-(1-ethylpyrazol-4-yl)-(2-fur…

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) 0.91 2.97 -45.77 3 4 1 59 192.242 3 ↓
Hi High (pH 8-9.5) 0.91 2.64 -7.87 2 4 0 57 191.234 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(1-ethylpyrazol-4-yl)-(2-furyl)methanamine (R)-(1-ethylpyrazol-4-yl)-(2-fur…

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) 0.91 2.97 -45.84 3 4 1 59 192.242 3 ↓
Hi High (pH 8-9.5) 0.91 2.63 -8.02 2 4 0 57 191.234 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(4,5-dibromo-2-furyl)-(1-propylpyrazol-4-yl)methanol (S)-(4,5-dibromo-2-furyl)-(1-pro…

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) 3.04 4.75 -8.19 1 4 0 51 364.037 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(4,5-dibromo-2-furyl)-(1-propylpyrazol-4-yl)methanol (R)-(4,5-dibromo-2-furyl)-(1-pro…

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) 3.04 4.63 -8.26 1 4 0 51 364.037 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(5-ethyl-2-furyl)-(1-propylpyrazol-4-yl)methanol (S)-(5-ethyl-2-furyl)-(1-propylp…

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) 2.16 5.02 -8.61 1 4 0 51 234.299 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(5-ethyl-2-furyl)-(1-propylpyrazol-4-yl)methanol (R)-(5-ethyl-2-furyl)-(1-propylp…

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) 2.16 4.9 -8.63 1 4 0 51 234.299 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-2-furyl(1H-pyrazol-4-yl)methanamine (R)-2-furyl(1H-pyrazol-4-yl)meth…

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) 0.47 0.8 -46.1 4 4 1 69 164.188 2 ↓
Hi High (pH 8-9.5) 0.47 0.45 -7.53 3 4 0 68 163.18 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-2-furyl(1H-pyrazol-4-yl)methanamine (S)-2-furyl(1H-pyrazol-4-yl)meth…

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) 0.47 0.8 -46.15 4 4 1 69 164.188 2 ↓
Hi High (pH 8-9.5) 0.47 0.46 -7.3 3 4 0 68 163.18 2 ↓

Parameters Provided:

ring.id = 18008
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 = 18008 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=18008&filter.purchasability=annotated

Embed Link to Results