Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_m01i3j7s4pmgh5h5bds8empea2, 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: 4-[2-[(1-methyltetrazol-5-yl)amino]ethyl]benzoic 4-[2-[(1-methyltetrazol-5-yl)ami…

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) 1.21 6.99 -59.73 1 7 -1 96 246.25 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-3-[(1-methyltetrazol-5-yl)amino]-2-phenyl-propanoic (2R)-3-[(1-methyltetrazol-5-yl)a…

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) 0.81 7.07 -45.22 1 7 -1 96 246.25 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-3-[(1-methyltetrazol-5-yl)amino]-2-phenyl-propanoic (2S)-3-[(1-methyltetrazol-5-yl)a…

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) 0.81 6.84 -44.83 1 7 -1 96 246.25 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-tetrazol-5-amine N-[2-(3,4-dimethoxyphenyl)ethyl]…

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) 0.95 5.62 -15.98 1 7 0 74 263.301 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-(1-methyltetrazol-5-yl)ethane-1,2-diamine (1R)-1-(3-methoxyphenyl)-N,N-dim…

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) 1.14 6.79 -47.88 2 7 1 69 277.352 6 ↓
Mid Mid (pH 6-8) 1.14 4.27 -11.29 1 7 0 68 276.344 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-(1-methyltetrazol-5-yl)ethane-1,2-diamine (1S)-1-(3-methoxyphenyl)-N,N-dim…

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) 1.14 6.8 -48.52 2 7 1 69 277.352 6 ↓
Mid Mid (pH 6-8) 1.14 4.75 -9.71 1 7 0 68 276.344 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-fluorophenyl)ethyl]-1-methyl-tetrazol-5-amine N-[2-(4-fluorophenyl)ethyl]-1-me…

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) 1.46 6.49 -12.99 1 5 0 56 221.239 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N,N-diethyl-N'-(1-methyltetrazol-5-yl)-1-phenyl-ethane-1,2-diamine (1R)-N,N-diethyl-N'-(1-methyltet…

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) 1.86 8.6 -45.77 2 6 1 60 275.38 7 ↓
Hi High (pH 8-9.5) 1.86 6.79 -8.35 1 6 0 59 274.372 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N,N-diethyl-N'-(1-methyltetrazol-5-yl)-1-phenyl-ethane-1,2-diamine (1S)-N,N-diethyl-N'-(1-methyltet…

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) 1.86 8.12 -46.16 2 6 1 60 275.38 7 ↓
Hi High (pH 8-9.5) 1.86 6.43 -8.74 1 6 0 59 274.372 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-fluorophenyl)ethyl]-1-methyl-tetrazol-5-amine N-[2-(2-fluorophenyl)ethyl]-1-me…

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) 1.42 6.47 -12.09 1 5 0 56 221.239 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2,4-dichlorophenyl)ethyl]-1-methyl-tetrazol-5-amine N-[2-(2,4-dichlorophenyl)ethyl]-…

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) 2.58 7.35 -11.91 1 5 0 56 272.139 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[(1-methyltetrazol-5-yl)amino]-1-phenyl-ethanol (1R)-2-[(1-methyltetrazol-5-yl)a…

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) 0.31 3.32 -10.78 2 6 0 76 219.248 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[(1-methyltetrazol-5-yl)amino]-1-phenyl-ethanol (1S)-2-[(1-methyltetrazol-5-yl)a…

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) 0.31 3.24 -10.91 2 6 0 76 219.248 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-(2-methyl-2-phenyl-propyl)tetrazol-5-amine 1-methyl-N-(2-methyl-2-phenyl-pr…

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) 2.27 7.41 -10.3 1 5 0 56 231.303 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-[2-(4-nitrophenyl)ethyl]tetrazol-5-amine 1-methyl-N-[2-(4-nitrophenyl)eth…

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) 1.26 7.14 -17.93 1 8 0 101 248.246 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[(1-methyltetrazol-5-yl)amino]ethyl]phenol 4-[2-[(1-methyltetrazol-5-yl)ami…

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) 0.82 3.57 -13.31 2 6 0 76 219.248 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-chlorophenyl)ethyl]-1-methyl-tetrazol-5-amine N-[2-(4-chlorophenyl)ethyl]-1-me…

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) 1.98 6.94 -12.23 1 5 0 56 237.694 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-[2-(m-tolyl)ethyl]tetrazol-5-amine 1-methyl-N-[2-(m-tolyl)ethyl]tet…

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) 1.73 7.09 -11.26 1 5 0 56 217.276 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3,5-difluorophenyl)ethyl]-1-methyl-tetrazol-5-amine N-[2-(3,5-difluorophenyl)ethyl]-…

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) 1.56 6.56 -13.26 1 5 0 56 239.229 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-1-methyl-tetrazol-5-amine N-[(1S)-2-(4-fluorophenyl)-1-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) 1.79 7.37 -13.73 1 5 0 56 235.266 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]-1-methyl-tetrazol-5-amine N-[(1R)-2-(4-fluorophenyl)-1-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) 1.79 7.36 -13.72 1 5 0 56 235.266 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-[(1S)-1-methyl-2-phenyl-ethyl]tetrazol-5-amine 1-methyl-N-[(1S)-1-methyl-2-phen…

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) 1.63 7.3 -11.51 1 5 0 56 217.276 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-methyl-N-[(1R)-1-methyl-2-phenyl-ethyl]tetrazol-5-amine 1-methyl-N-[(1R)-1-methyl-2-phen…

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) 1.63 7.29 -11.53 1 5 0 56 217.276 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N'-(1-methyltetrazol-5-yl)-1-phenyl-ethane-1,2-diamine (1R)-N'-(1-methyltetrazol-5-yl)-…

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) -1.39 4 -61.6 4 6 1 83 219.272 4 ↓
Hi High (pH 8-9.5) -1.39 3.64 -11.12 3 6 0 82 218.264 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N'-(1-methyltetrazol-5-yl)-1-phenyl-ethane-1,2-diamine (1S)-N'-(1-methyltetrazol-5-yl)-…

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) -1.39 4 -61.3 4 6 1 83 219.272 4 ↓
Hi High (pH 8-9.5) -1.39 3.56 -9.72 3 6 0 82 218.264 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-aminophenyl)-2-[(1-methyltetrazol-5-yl)amino]ethanol (1R)-1-(4-aminophenyl)-2-[(1-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) -0.62 1.2 -11.41 4 7 0 102 234.263 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-aminophenyl)-2-[(1-methyltetrazol-5-yl)amino]ethanol (1S)-1-(4-aminophenyl)-2-[(1-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) -0.62 1.11 -11.5 4 7 0 102 234.263 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-aminophenyl)ethyl]-1-methyl-tetrazol-5-amine N-[2-(4-aminophenyl)ethyl]-1-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) 0.38 4.3 -11.81 3 6 0 82 218.264 4 ↓
Lo Low (pH 4.5-6) 0.38 4.16 -51.18 4 6 1 83 219.272 4 ↓

Analogs

41689095
41689095

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[[(2R)-2-phenylpropyl]amino]tetrazol-1-yl]ethanol 2-[5-[[(2R)-2-phenylpropyl]amino…

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) 1.47 4.48 -9.96 2 6 0 76 247.302 6 ↓

Analogs

41689092
41689092

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[[(2S)-2-phenylpropyl]amino]tetrazol-1-yl]ethanol 2-[5-[[(2S)-2-phenylpropyl]amino…

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) 1.47 4.47 -9.98 2 6 0 76 247.302 6 ↓

Parameters Provided:

ring.id = 312119
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 = 312119 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=312119&filter.purchasability=annotated

Embed Link to Results