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Analogs

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Popular Name: 5-(4-aminocyclohexyl)sulfanyl-4-isopropyl-1,2,4-triazol-3-amine 5-(4-aminocyclohexyl)sulfanyl-4-…

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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) 0.71 6.39 -50.88 5 5 1 84 256.399 3 ↓

Analogs

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Popular Name: 5-cyclohexylsulfanyl-4-isopropyl-1,2,4-triazol-3-amine 5-cyclohexylsulfanyl-4-isopropyl…

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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) 2.83 8.97 -9.63 2 4 0 57 240.376 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[(5-amino-4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexanol (1S,2R)-2-[(5-amino-4-isopropyl-…

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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 5.83 -11.46 3 5 0 77 256.375 3 ↓

Analogs

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Popular Name: (1S,2S)-2-[(5-amino-4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexanol (1S,2S)-2-[(5-amino-4-isopropyl-…

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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 5.69 -11.85 3 5 0 77 256.375 3 ↓

Analogs

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Popular Name: (1R,2R)-2-[(5-amino-4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexanol (1R,2R)-2-[(5-amino-4-isopropyl-…

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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 5.69 -11.86 3 5 0 77 256.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(5-amino-4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexanol (1R,2S)-2-[(5-amino-4-isopropyl-…

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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 5.83 -11.45 3 5 0 77 256.375 3 ↓

Analogs

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Popular Name: 5-[(1R,3S)-3-methoxycyclohexyl]sulfanyl-4-methyl-1,2,4-triazol-3-amine 5-[(1R,3S)-3-methoxycyclohexyl]s…

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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) 1.32 6.67 -10.21 2 5 0 66 242.348 3 ↓

Analogs

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Popular Name: 5-[(1S,3S)-3-methoxycyclohexyl]sulfanyl-4-methyl-1,2,4-triazol-3-amine 5-[(1S,3S)-3-methoxycyclohexyl]s…

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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) 1.32 6.82 -12.32 2 5 0 66 242.348 3 ↓

Analogs

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Popular Name: 5-[(1R,3R)-3-methoxycyclohexyl]sulfanyl-4-methyl-1,2,4-triazol-3-amine 5-[(1R,3R)-3-methoxycyclohexyl]s…

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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) 1.32 6.82 -12.33 2 5 0 66 242.348 3 ↓

Analogs

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Popular Name: 5-[(1S,3R)-3-methoxycyclohexyl]sulfanyl-4-methyl-1,2,4-triazol-3-amine 5-[(1S,3R)-3-methoxycyclohexyl]s…

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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) 1.32 6.67 -10.2 2 5 0 66 242.348 3 ↓

Analogs

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Popular Name: 4-isopropyl-5-[(1R,3S)-3-methoxycyclohexyl]sulfanyl-1,2,4-triazol-3-amine 4-isopropyl-5-[(1R,3S)-3-methoxy…

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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) 2.06 7.97 -9.6 2 5 0 66 270.402 4 ↓

Analogs

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Popular Name: 4-isopropyl-5-[(1S,3S)-3-methoxycyclohexyl]sulfanyl-1,2,4-triazol-3-amine 4-isopropyl-5-[(1S,3S)-3-methoxy…

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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) 2.06 8.13 -11.73 2 5 0 66 270.402 4 ↓

Analogs

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Popular Name: 4-isopropyl-5-[(1R,3R)-3-methoxycyclohexyl]sulfanyl-1,2,4-triazol-3-amine 4-isopropyl-5-[(1R,3R)-3-methoxy…

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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) 2.06 8.13 -11.71 2 5 0 66 270.402 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-isopropyl-5-[(1S,3R)-3-methoxycyclohexyl]sulfanyl-1,2,4-triazol-3-amine 4-isopropyl-5-[(1S,3R)-3-methoxy…

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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) 2.06 7.97 -9.6 2 5 0 66 270.402 4 ↓

Analogs

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Popular Name: [5-[(1R,3S)-3-methoxycyclohexyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanamine [5-[(1R,3S)-3-methoxycyclohexyl]…

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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) 0.80 4.32 -52.14 3 5 1 68 257.383 4 ↓
Hi High (pH 8-9.5) 0.80 3.92 -8.54 2 5 0 66 256.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(1S,3S)-3-methoxycyclohexyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanamine [5-[(1S,3S)-3-methoxycyclohexyl]…

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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) 0.80 4.46 -52.83 3 5 1 68 257.383 4 ↓
Hi High (pH 8-9.5) 0.80 4.06 -10.5 2 5 0 66 256.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(1R,3R)-3-methoxycyclohexyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanamine [5-[(1R,3R)-3-methoxycyclohexyl]…

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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) 0.80 4.46 -52.43 3 5 1 68 257.383 4 ↓
Hi High (pH 8-9.5) 0.80 4.06 -10.59 2 5 0 66 256.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(1S,3R)-3-methoxycyclohexyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methanamine [5-[(1S,3R)-3-methoxycyclohexyl]…

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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) 0.80 4.32 -52.11 3 5 1 68 257.383 4 ↓
Hi High (pH 8-9.5) 0.80 3.92 -8.6 2 5 0 66 256.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-isopropyl-5-[(1R,3S)-3-methoxycyclohexyl]sulfanyl-1,2,4-triazol-3-yl]methanamine [4-isopropyl-5-[(1R,3S)-3-methox…

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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) 1.54 5.49 -52.25 3 5 1 68 285.437 5 ↓
Hi High (pH 8-9.5) 1.54 5.09 -9.82 2 5 0 66 284.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-isopropyl-5-[(1S,3S)-3-methoxycyclohexyl]sulfanyl-1,2,4-triazol-3-yl]methanamine [4-isopropyl-5-[(1S,3S)-3-methox…

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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) 1.54 5.63 -52.93 3 5 1 68 285.437 5 ↓
Hi High (pH 8-9.5) 1.54 5.23 -11.96 2 5 0 66 284.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-isopropyl-5-[(1R,3R)-3-methoxycyclohexyl]sulfanyl-1,2,4-triazol-3-yl]methanamine [4-isopropyl-5-[(1R,3R)-3-methox…

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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) 1.54 5.63 -52.36 3 5 1 68 285.437 5 ↓
Hi High (pH 8-9.5) 1.54 5.23 -12.05 2 5 0 66 284.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-isopropyl-5-[(1S,3R)-3-methoxycyclohexyl]sulfanyl-1,2,4-triazol-3-yl]methanamine [4-isopropyl-5-[(1S,3R)-3-methox…

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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) 1.54 5.49 -52.27 3 5 1 68 285.437 5 ↓
Hi High (pH 8-9.5) 1.54 5.09 -9.8 2 5 0 66 284.429 5 ↓

Analogs

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Popular Name: [4-ethyl-5-[(1R,3S)-3-methoxycyclohexyl]sulfanyl-1,2,4-triazol-3-yl]methanamine [4-ethyl-5-[(1R,3S)-3-methoxycyc…

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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) 1.18 5.27 -51.47 3 5 1 68 271.41 5 ↓
Hi High (pH 8-9.5) 1.18 4.87 -9.92 2 5 0 66 270.402 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-ethyl-5-[(1S,3S)-3-methoxycyclohexyl]sulfanyl-1,2,4-triazol-3-yl]methanamine [4-ethyl-5-[(1S,3S)-3-methoxycyc…

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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) 1.18 5.41 -52.03 3 5 1 68 271.41 5 ↓
Hi High (pH 8-9.5) 1.18 5.01 -11.95 2 5 0 66 270.402 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-ethyl-5-[(1R,3R)-3-methoxycyclohexyl]sulfanyl-1,2,4-triazol-3-yl]methanamine [4-ethyl-5-[(1R,3R)-3-methoxycyc…

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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) 1.18 5.41 -51.7 3 5 1 68 271.41 5 ↓
Hi High (pH 8-9.5) 1.18 5.01 -12 2 5 0 66 270.402 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-ethyl-5-[(1S,3R)-3-methoxycyclohexyl]sulfanyl-1,2,4-triazol-3-yl]methanamine [4-ethyl-5-[(1S,3R)-3-methoxycyc…

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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) 1.18 5.27 -51.43 3 5 1 68 271.41 5 ↓
Hi High (pH 8-9.5) 1.18 4.87 -9.85 2 5 0 66 270.402 5 ↓

Analogs

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Popular Name: [5-[(1R,3S)-3-methoxycyclohexyl]sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanamine [5-[(1R,3S)-3-methoxycyclohexyl]…

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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 6.03 -51.42 3 5 1 68 285.437 6 ↓
Hi High (pH 8-9.5) 1.68 5.58 -7.81 2 5 0 66 284.429 6 ↓

Analogs

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Popular Name: [5-[(1S,3S)-3-methoxycyclohexyl]sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanamine [5-[(1S,3S)-3-methoxycyclohexyl]…

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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 6.17 -51.88 3 5 1 68 285.437 6 ↓
Hi High (pH 8-9.5) 1.68 5.72 -9.76 2 5 0 66 284.429 6 ↓

Analogs

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Popular Name: [5-[(1R,3R)-3-methoxycyclohexyl]sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanamine [5-[(1R,3R)-3-methoxycyclohexyl]…

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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 6.17 -51.54 3 5 1 68 285.437 6 ↓
Hi High (pH 8-9.5) 1.68 5.72 -9.89 2 5 0 66 284.429 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(1S,3R)-3-methoxycyclohexyl]sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanamine [5-[(1S,3R)-3-methoxycyclohexyl]…

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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 6.03 -51.4 3 5 1 68 285.437 6 ↓
Hi High (pH 8-9.5) 1.68 5.58 -7.87 2 5 0 66 284.429 6 ↓

Analogs

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Popular Name: (1S,2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexanol (1S,2R)-2-[(4-methyl-1,2,4-triaz…

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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 5.11 -10.97 1 4 0 51 213.306 2 ↓

Analogs

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Popular Name: (1S,2S)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexanol (1S,2S)-2-[(4-methyl-1,2,4-triaz…

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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 4.97 -11.44 1 4 0 51 213.306 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexanol (1R,2R)-2-[(4-methyl-1,2,4-triaz…

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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 4.97 -11.45 1 4 0 51 213.306 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexanol (1R,2S)-2-[(4-methyl-1,2,4-triaz…

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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 5.11 -11 1 4 0 51 213.306 2 ↓

Parameters Provided:

ring.id = 274158
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 274158 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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