Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_aln5g9d6667vi6colovakokfg2, 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: N-[3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclohexanamine N-[3-[3-(trifluoromethyl)pyrazol…

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) 3.48 7.34 -46.24 2 3 1 34 276.326 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-methylpyrazol-1-yl)propyl]cyclohexanamine N-[3-(4-methylpyrazol-1-yl)propy…

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) 2.72 7.07 -41.81 2 3 1 34 222.356 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]cyclohexanamine N-[3-(4-bromo-3,5-dimethyl-pyraz…

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) 3.53 8.03 -45.26 2 3 1 34 315.279 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]cyclohexanamine N-[3-(4-chloro-3,5-dimethyl-pyra…

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) 3.40 7.95 -45.4 2 3 1 34 270.828 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-chloropyrazol-1-yl)propyl]cyclohexanamine N-[3-(4-chloropyrazol-1-yl)propy…

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) 2.95 6.9 -43.44 2 3 1 34 242.774 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-bromopyrazol-1-yl)propyl]cyclohexanamine N-[3-(4-bromopyrazol-1-yl)propyl…

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) 3.08 7 -43.37 2 3 1 34 287.225 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclohexanamine N-[3-(3,4,5-trimethylpyrazol-1-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) 3.17 8.07 -44.07 2 3 1 34 250.41 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(4-ethyl-3,5-dimethyl-pyrazol-1-yl)propyl]cyclohexanamine N-[3-(4-ethyl-3,5-dimethyl-pyraz…

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) 3.63 8.81 -43.95 2 3 1 34 264.437 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]-3-(4-nitropyrazol-1-yl)propan-2-ol (2S)-1-[[(1S,2R,4R)-2,4-dimethyl…

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) 1.57 5.58 -53.22 3 7 1 100 297.379 6 ↓
Hi High (pH 8-9.5) 1.57 4.81 -10.24 2 7 0 96 296.371 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]amino]-3-(4-nitropyrazol-1-yl)propan-2-ol (2S)-1-[[(1S,2R,4S)-2,4-dimethyl…

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) 1.57 5.18 -54.79 3 7 1 100 297.379 6 ↓
Hi High (pH 8-9.5) 1.57 4.17 -10.17 2 7 0 96 296.371 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]amino]-3-(4-nitropyrazol-1-yl)propan-2-ol (2S)-1-[[(1R,2R,4R)-2,4-dimethyl…

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) 1.57 5.38 -54.37 3 7 1 100 297.379 6 ↓
Hi High (pH 8-9.5) 1.57 4.43 -10.27 2 7 0 96 296.371 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]-3-(4-nitropyrazol-1-yl)propan-2-ol (2S)-1-[[(1R,2R,4S)-2,4-dimethyl…

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) 1.57 5.15 -54.56 3 7 1 100 297.379 6 ↓
Hi High (pH 8-9.5) 1.57 4.21 -10.25 2 7 0 96 296.371 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]-3-pyrazol-1-yl-propan-2-ol (2S)-1-[[(1S,2R,4R)-2,4-dimethyl…

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) 1.68 4.84 -43.1 3 4 1 55 252.382 5 ↓
Hi High (pH 8-9.5) 1.68 4.05 -6.82 2 4 0 50 251.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]amino]-3-pyrazol-1-yl-propan-2-ol (2S)-1-[[(1S,2R,4S)-2,4-dimethyl…

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) 1.68 4.43 -44.68 3 4 1 55 252.382 5 ↓
Hi High (pH 8-9.5) 1.68 3.42 -6.89 2 4 0 50 251.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]amino]-3-pyrazol-1-yl-propan-2-ol (2S)-1-[[(1R,2R,4R)-2,4-dimethyl…

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) 1.68 4.64 -44.33 3 4 1 55 252.382 5 ↓
Hi High (pH 8-9.5) 1.68 3.69 -6.87 2 4 0 50 251.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]-3-pyrazol-1-yl-propan-2-ol (2S)-1-[[(1R,2R,4S)-2,4-dimethyl…

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) 1.68 4.39 -44.53 3 4 1 55 252.382 5 ↓
Hi High (pH 8-9.5) 1.68 3.46 -6.86 2 4 0 50 251.374 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(4-aminopyrazol-1-yl)-3-[methyl-(4-methylcyclohexyl)amino]propan-2-ol (2S)-1-(4-aminopyrazol-1-yl)-3-[…

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) 0.86 3.72 -40.39 4 5 1 69 267.397 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(4-aminopyrazol-1-yl)-3-[methyl-(4-methylcyclohexyl)amino]propan-2-ol (2R)-1-(4-aminopyrazol-1-yl)-3-[…

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) 0.86 3.6 -40.33 4 5 1 69 267.397 5 ↓

Analogs

42580221
42580221
42580224
42580224

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(4-propylcyclohexyl)amino]-3-pyrazol-1-yl-propan-2-ol (2S)-1-[(4-propylcyclohexyl)amin…

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) 2.45 5.37 -45.13 3 4 1 55 266.409 7 ↓

Analogs

42580221
42580221
42580224
42580224

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[(4-propylcyclohexyl)amino]-3-pyrazol-1-yl-propan-2-ol (2R)-1-[(4-propylcyclohexyl)amin…

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) 2.45 5.16 -45.1 3 4 1 55 266.409 7 ↓

Parameters Provided:

ring.id = 75178
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 = 75178 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=75178&filter.purchasability=annotated

Embed Link to Results