UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20588372
20588372

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-amino-5-(4-tert-butylcyclohexyl)-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[4-amino-5-(4-tert-butylcyclo…

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) 2.10 8.48 -43.84 2 6 -1 97 311.431 5 ↓

Analogs

13114196
13114196

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-tert-butylcyclohexyl)-4H-1,2,4-triazole-3-thiol 5-(4-tert-butylcyclohexyl)-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) 3.20 7.51 -41.32 1 3 -1 42 238.38 2 ↓
Mid Mid (pH 6-8) 3.20 7.52 -23.27 2 3 0 43 239.388 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-4-ethyl-cyclohexanamine 1-(4,5-dimethyl-1,2,4-triazol-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) 1.47 5.22 -53.92 3 4 1 58 223.344 2 ↓
Hi High (pH 8-9.5) 1.47 5.25 -10.39 2 4 0 57 222.336 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexanamine 1-(4,5-dimethyl-1,2,4-triazol-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) 1.01 4.13 -39.39 3 4 1 58 195.29 1 ↓
Hi High (pH 8-9.5) 1.01 3.96 -9.48 2 4 0 57 194.282 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-4-methyl-cyclohexanamine 1-(4,5-dimethyl-1,2,4-triazol-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) 0.78 4.46 -39.93 3 4 1 58 209.317 1 ↓
Hi High (pH 8-9.5) 0.78 4.26 -9.28 2 4 0 57 208.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-1-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methyl-cyclohexanamine (1S,3S)-1-(4,5-dimethyl-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) 1.01 4.73 -39.76 3 4 1 58 209.317 1 ↓
Hi High (pH 8-9.5) 1.01 4.56 -9.37 2 4 0 57 208.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-1-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methyl-cyclohexanamine (1R,3S)-1-(4,5-dimethyl-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) 1.01 4.91 -48.37 3 4 1 58 209.317 1 ↓
Hi High (pH 8-9.5) 1.01 5.18 -10.91 2 4 0 57 208.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-1-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methyl-cyclohexanamine (1S,3R)-1-(4,5-dimethyl-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) 1.01 4.63 -38.3 3 4 1 58 209.317 1 ↓
Hi High (pH 8-9.5) 1.01 4.88 -9.07 2 4 0 57 208.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-1-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methyl-cyclohexanamine (1R,3R)-1-(4,5-dimethyl-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) 1.01 4.73 -39.71 3 4 1 58 209.317 1 ↓
Hi High (pH 8-9.5) 1.01 4.49 -11.4 2 4 0 57 208.309 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexanamine 4-(4,5-dimethyl-1,2,4-triazol-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) -0.57 4.34 -54.56 3 4 1 58 195.29 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclohexanamine 4-ethyl-1-(4-ethyl-5-methyl-1,2,…

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 6.17 -51.47 3 4 1 58 237.371 3 ↓
Hi High (pH 8-9.5) 1.84 6.21 -9.75 2 4 0 57 236.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclohexanamine 1-(4-ethyl-5-methyl-1,2,4-triazo…

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 5.41 -46.66 3 4 1 58 209.317 2 ↓
Hi High (pH 8-9.5) 1.39 5.21 -9.96 2 4 0 57 208.309 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-cyclohexanamine 1-(4-ethyl-5-methyl-1,2,4-triazo…

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) 1.16 5.81 -47.48 3 4 1 58 223.344 2 ↓
Hi High (pH 8-9.5) 1.16 5.6 -9.83 2 4 0 57 222.336 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-3-methyl-cyclohexanamine (1S,3S)-1-(4-ethyl-5-methyl-1,2,…

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 6.01 -46.93 3 4 1 58 223.344 2 ↓
Hi High (pH 8-9.5) 1.39 5.81 -9.81 2 4 0 57 222.336 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-3-methyl-cyclohexanamine (1R,3S)-1-(4-ethyl-5-methyl-1,2,…

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 5.6 -46.2 3 4 1 58 223.344 2 ↓
Hi High (pH 8-9.5) 1.39 6.16 -10.36 2 4 0 57 222.336 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-3-methyl-cyclohexanamine (1S,3R)-1-(4-ethyl-5-methyl-1,2,…

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 5.86 -45.53 3 4 1 58 223.344 2 ↓
Hi High (pH 8-9.5) 1.39 6.14 -9.72 2 4 0 57 222.336 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-3-methyl-cyclohexanamine (1R,3R)-1-(4-ethyl-5-methyl-1,2,…

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 6 -47.34 3 4 1 58 223.344 2 ↓
Hi High (pH 8-9.5) 1.39 5.78 -11.48 2 4 0 57 222.336 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclohexanamine 4-(4-ethyl-5-methyl-1,2,4-triazo…

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) -0.19 5.2 -54.05 3 4 1 58 209.317 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclohexanamine 4-ethyl-1-(5-methyl-4-propyl-1,2…

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) 2.34 6.94 -50.78 3 4 1 58 251.398 4 ↓
Hi High (pH 8-9.5) 2.34 6.97 -9.14 2 4 0 57 250.39 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclohexanamine 1-(5-methyl-4-propyl-1,2,4-triaz…

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) 1.89 6.15 -45.75 3 4 1 58 223.344 3 ↓
Hi High (pH 8-9.5) 1.89 5.97 -9.3 2 4 0 57 222.336 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclohexanamine 4-methyl-1-(5-methyl-4-propyl-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) 1.66 6.55 -46.69 3 4 1 58 237.371 3 ↓
Hi High (pH 8-9.5) 1.66 6.35 -9.14 2 4 0 57 236.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclohexanamine (1S,3S)-3-methyl-1-(5-methyl-4-p…

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) 1.89 6.75 -46.1 3 4 1 58 237.371 3 ↓
Hi High (pH 8-9.5) 1.89 6.57 -9.19 2 4 0 57 236.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclohexanamine (1R,3S)-3-methyl-1-(5-methyl-4-p…

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) 1.89 6.35 -45.79 3 4 1 58 237.371 3 ↓
Hi High (pH 8-9.5) 1.89 6.91 -9.71 2 4 0 57 236.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclohexanamine (1S,3R)-3-methyl-1-(5-methyl-4-p…

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) 1.89 6.62 -44.59 3 4 1 58 237.371 3 ↓
Hi High (pH 8-9.5) 1.89 6.89 -9.01 2 4 0 57 236.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclohexanamine (1R,3R)-3-methyl-1-(5-methyl-4-p…

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) 1.89 6.74 -46.41 3 4 1 58 237.371 3 ↓
Hi High (pH 8-9.5) 1.89 6.52 -10.83 2 4 0 57 236.363 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclohexanamine 4-(5-methyl-4-propyl-1,2,4-triaz…

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 5.96 -53.6 3 4 1 58 223.344 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-1-(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)cyclohexanamine 4-ethyl-1-(4-isopropyl-5-methyl-…

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) 2.21 6.27 -51.03 3 4 1 58 251.398 3 ↓
Hi High (pH 8-9.5) 2.21 6.32 -9.08 2 4 0 57 250.39 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)cyclohexanamine 1-(4-isopropyl-5-methyl-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) 1.75 5.2 -38.27 3 4 1 58 223.344 2 ↓
Hi High (pH 8-9.5) 1.75 5.05 -8.59 2 4 0 57 222.336 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)-4-methyl-cyclohexanamine 1-(4-isopropyl-5-methyl-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) 1.52 5.52 -38.7 3 4 1 58 237.371 2 ↓
Hi High (pH 8-9.5) 1.52 5.34 -8.39 2 4 0 57 236.363 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-1-(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methyl-cyclohexanamine (1S,3S)-1-(4-isopropyl-5-methyl-…

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) 1.75 5.8 -38.57 3 4 1 58 237.371 2 ↓
Hi High (pH 8-9.5) 1.75 5.65 -8.46 2 4 0 57 236.363 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-1-(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methyl-cyclohexanamine (1R,3S)-1-(4-isopropyl-5-methyl-…

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) 1.75 6.03 -44.82 3 4 1 58 237.371 2 ↓
Hi High (pH 8-9.5) 1.75 6.27 -9.9 2 4 0 57 236.363 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-1-(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methyl-cyclohexanamine (1S,3R)-1-(4-isopropyl-5-methyl-…

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) 1.75 5.69 -37.14 3 4 1 58 237.371 2 ↓
Hi High (pH 8-9.5) 1.75 5.97 -8.15 2 4 0 57 236.363 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-1-(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methyl-cyclohexanamine (1R,3R)-1-(4-isopropyl-5-methyl-…

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) 1.75 6.11 -46.61 3 4 1 58 237.371 2 ↓
Hi High (pH 8-9.5) 1.75 5.88 -11.21 2 4 0 57 236.363 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)cyclohexanamine 4-(4-isopropyl-5-methyl-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) 0.17 5.41 -54.2 3 4 1 58 223.344 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclohexanecarboxylic (1S,2R)-2-(5-methyl-4-propyl-1,2…

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) 1.53 9.11 -60.35 0 5 -1 71 250.322 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclohexanecarboxylic (1S,2S)-2-(5-methyl-4-propyl-1,2…

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) 1.53 8.5 -55.49 0 5 -1 71 250.322 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclohexanecarboxylic (1R,2R)-2-(5-methyl-4-propyl-1,2…

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) 1.53 9.02 -54.93 0 5 -1 71 250.322 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)cyclohexanecarboxylic (1R,2S)-2-(5-methyl-4-propyl-1,2…

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) 1.53 9.07 -64.34 0 5 -1 71 250.322 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)cyclohexanecarboxylic (1S,2R)-2-(4-isopropyl-5-methyl-…

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 8.58 -61.66 0 5 -1 71 250.322 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)cyclohexanecarboxylic (1S,2S)-2-(4-isopropyl-5-methyl-…

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 8.23 -53.48 0 5 -1 71 250.322 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)cyclohexanecarboxylic (1R,2R)-2-(4-isopropyl-5-methyl-…

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 8.43 -56.01 0 5 -1 71 250.322 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)cyclohexanecarboxylic (1R,2S)-2-(4-isopropyl-5-methyl-…

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 8.52 -65.17 0 5 -1 71 250.322 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexanecarboxylic (1S,2R)-2-(4,5-dimethyl-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) 0.65 7.47 -61.7 0 5 -1 71 222.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexanecarboxylic (1S,2S)-2-(4,5-dimethyl-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) 0.65 7.2 -52.6 0 5 -1 71 222.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexanecarboxylic (1R,2R)-2-(4,5-dimethyl-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) 0.65 7.43 -55.47 0 5 -1 71 222.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(4,5-dimethyl-1,2,4-triazol-3-yl)cyclohexanecarboxylic (1R,2S)-2-(4,5-dimethyl-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) 0.65 7.46 -64.87 0 5 -1 71 222.268 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclohexanecarboxylic (1S,2R)-2-(4-ethyl-5-methyl-1,2,…

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) 1.03 8.35 -61.05 0 5 -1 71 236.295 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclohexanecarboxylic (1S,2S)-2-(4-ethyl-5-methyl-1,2,…

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) 1.03 7.74 -55.12 0 5 -1 71 236.295 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclohexanecarboxylic (1R,2R)-2-(4-ethyl-5-methyl-1,2,…

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) 1.03 8.26 -55.32 0 5 -1 71 236.295 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclohexanecarboxylic (1R,2S)-2-(4-ethyl-5-methyl-1,2,…

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) 1.03 8.32 -64.89 0 5 -1 71 236.295 3 ↓

Parameters Provided:

ring.id = 136500
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 = 136500 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=136500&filter.purchasability=annotated

Embed Link to Results