Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_j49dcgd4b0hm4mi974k12gp517, 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: (2R,4R)-2-propyl-N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine (2R,4R)-2-propyl-N-(4H-1,2,4-tri…

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 4.71 -39.6 3 5 1 67 225.316 5 ↓
Hi High (pH 8-9.5) 0.86 3.52 -7.81 2 5 0 63 224.308 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-propyl-N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine (2S,4R)-2-propyl-N-(4H-1,2,4-tri…

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 4.88 -39.1 3 5 1 67 225.316 5 ↓
Hi High (pH 8-9.5) 0.86 3.8 -7.63 2 5 0 63 224.308 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-propyl-N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine (2R,4S)-2-propyl-N-(4H-1,2,4-tri…

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 4.88 -39.03 3 5 1 67 225.316 5 ↓
Hi High (pH 8-9.5) 0.86 4 -7.68 2 5 0 63 224.308 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-propyl-N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine (2S,4S)-2-propyl-N-(4H-1,2,4-tri…

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 4.71 -39.59 3 5 1 67 225.316 5 ↓
Hi High (pH 8-9.5) 0.86 3.51 -8.11 2 5 0 63 224.308 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-ethyl-2-methyl-N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine (2R,4R)-2-ethyl-2-methyl-N-(4H-1…

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) 0.74 4.16 -39.65 3 5 1 67 225.316 4 ↓
Hi High (pH 8-9.5) 0.74 3.98 -33.17 2 5 0 66 224.308 4 ↓
Hi High (pH 8-9.5) 0.74 2.97 -6.36 2 5 0 63 224.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-ethyl-2-methyl-N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine (2S,4R)-2-ethyl-2-methyl-N-(4H-1…

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) 0.74 4.17 -39.79 3 5 1 67 225.316 4 ↓
Hi High (pH 8-9.5) 0.74 3.99 -33.14 2 5 0 66 224.308 4 ↓
Hi High (pH 8-9.5) 0.74 2.98 -6.27 2 5 0 63 224.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-ethyl-2-methyl-N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine (2R,4S)-2-ethyl-2-methyl-N-(4H-1…

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) 0.74 4.14 -39.78 3 5 1 67 225.316 4 ↓
Hi High (pH 8-9.5) 0.74 3.96 -33.04 2 5 0 66 224.308 4 ↓
Hi High (pH 8-9.5) 0.74 2.91 -6.28 2 5 0 63 224.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-ethyl-2-methyl-N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine (2S,4S)-2-ethyl-2-methyl-N-(4H-1…

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) 0.74 4.2 -39.61 3 5 1 67 225.316 4 ↓
Hi High (pH 8-9.5) 0.74 4.02 -33.02 2 5 0 66 224.308 4 ↓
Hi High (pH 8-9.5) 0.74 2.99 -6.31 2 5 0 63 224.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2,2-dimethyl-N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine (4R)-2,2-dimethyl-N-(4H-1,2,4-tr…

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) 0.24 3.49 -39.61 3 5 1 67 211.289 3 ↓
Hi High (pH 8-9.5) 0.24 3.31 -33.27 2 5 0 66 210.281 3 ↓
Hi High (pH 8-9.5) 0.24 2.3 -6.49 2 5 0 63 210.281 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2,2-dimethyl-N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine (4S)-2,2-dimethyl-N-(4H-1,2,4-tr…

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) 0.24 3.48 -39.61 3 5 1 67 211.289 3 ↓
Hi High (pH 8-9.5) 0.24 3.3 -33.15 2 5 0 66 210.281 3 ↓
Hi High (pH 8-9.5) 0.24 2.27 -6.52 2 5 0 63 210.281 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-ethyl-N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine (2R,4R)-2-ethyl-N-(4H-1,2,4-tria…

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) 0.30 3.93 -39.57 3 5 1 67 211.289 4 ↓
Hi High (pH 8-9.5) 0.30 2.75 -7.93 2 5 0 63 210.281 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-ethyl-N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine (2S,4R)-2-ethyl-N-(4H-1,2,4-tria…

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) 0.30 4.12 -38.96 3 5 1 67 211.289 4 ↓
Hi High (pH 8-9.5) 0.30 3.02 -7.72 2 5 0 63 210.281 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-ethyl-N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine (2R,4S)-2-ethyl-N-(4H-1,2,4-tria…

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) 0.30 4.11 -38.86 3 5 1 67 211.289 4 ↓
Hi High (pH 8-9.5) 0.30 3.22 -7.8 2 5 0 63 210.281 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-ethyl-N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine (2S,4S)-2-ethyl-N-(4H-1,2,4-tria…

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) 0.30 3.93 -39.53 3 5 1 67 211.289 4 ↓
Hi High (pH 8-9.5) 0.30 2.73 -8.2 2 5 0 63 210.281 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-methyl-N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine (2R,4R)-2-methyl-N-(4H-1,2,4-tri…

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) -0.21 3.11 -39.4 3 5 1 67 197.262 3 ↓
Hi High (pH 8-9.5) -0.21 1.92 -8.06 2 5 0 63 196.254 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-methyl-N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine (2S,4R)-2-methyl-N-(4H-1,2,4-tri…

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) -0.21 2.83 -39.04 3 5 1 67 197.262 3 ↓
Hi High (pH 8-9.5) -0.21 1.66 -7.98 2 5 0 63 196.254 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-methyl-N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine (2R,4S)-2-methyl-N-(4H-1,2,4-tri…

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) -0.21 2.83 -39.04 3 5 1 67 197.262 3 ↓
Hi High (pH 8-9.5) -0.21 1.64 -8.24 2 5 0 63 196.254 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-methyl-N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine (2S,4S)-2-methyl-N-(4H-1,2,4-tri…

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) -0.21 3.11 -39.4 3 5 1 67 197.262 3 ↓
Hi High (pH 8-9.5) -0.21 1.91 -8.37 2 5 0 63 196.254 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-2-isopropyl-N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine (2S,4R)-2-isopropyl-N-(4H-1,2,4-…

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) 0.54 4.46 -39.74 3 5 1 67 225.316 4 ↓
Hi High (pH 8-9.5) 0.54 3.28 -7.74 2 5 0 63 224.308 4 ↓
Hi High (pH 8-9.5) 0.54 4.29 -33.38 2 5 0 66 224.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-2-isopropyl-N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine (2R,4R)-2-isopropyl-N-(4H-1,2,4-…

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) 0.54 4.7 -39.18 3 5 1 67 225.316 4 ↓
Hi High (pH 8-9.5) 0.54 3.62 -7.5 2 5 0 63 224.308 4 ↓
Hi High (pH 8-9.5) 0.54 4.53 -33.43 2 5 0 66 224.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-2-isopropyl-N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine (2S,4S)-2-isopropyl-N-(4H-1,2,4-…

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) 0.54 4.64 -39.04 3 5 1 67 225.316 4 ↓
Hi High (pH 8-9.5) 0.54 3.73 -7.68 2 5 0 63 224.308 4 ↓
Hi High (pH 8-9.5) 0.54 4.46 -32.9 2 5 0 66 224.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-2-isopropyl-N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine (2R,4S)-2-isopropyl-N-(4H-1,2,4-…

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) 0.54 4.53 -39.7 3 5 1 67 225.316 4 ↓
Hi High (pH 8-9.5) 0.54 3.32 -7.93 2 5 0 63 224.308 4 ↓
Hi High (pH 8-9.5) 0.54 4.35 -33.29 2 5 0 66 224.308 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4H-1,2,4-triazol-3-ylmethyl)tetrahydropyran-4-amine N-(4H-1,2,4-triazol-3-ylmethyl)t…

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) -0.57 2.34 -38.86 3 5 1 67 183.235 3 ↓
Hi High (pH 8-9.5) -0.57 2.16 -33.53 2 5 0 66 182.227 3 ↓
Hi High (pH 8-9.5) -0.57 1.15 -8.49 2 5 0 63 182.227 3 ↓

Parameters Provided:

ring.id = 490132
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 = 490132 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=490132&filter.purchasability=annotated

Embed Link to Results