UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

410231
410231

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Popular Name: 5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazole-2-thiol 5-[cyclohexyl(methyl)amino]-1,3,…

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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) 3.18 6.34 -42.77 0 3 -1 29 228.366 2 ↓

Analogs

410231
410231

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Popular Name: 5-[cyclohexyl(ethyl)amino]-1,3,4-thiadiazole-2-thiol 5-[cyclohexyl(ethyl)amino]-1,3,4…

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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) 3.56 7.36 -44.66 0 3 -1 29 242.393 3 ↓

Analogs

6382219
6382219

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Popular Name: 5-[methyl-[(1S,3R)-3-methylcyclohexyl]amino]-1,3,4-thiadiazole-2-thiol 5-[methyl-[(1S,3R)-3-methylcyclo…

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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) 3.19 6.95 -42.75 0 3 -1 29 242.393 2 ↓

Analogs

6382219
6382219

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Popular Name: 5-[methyl-[(1S,3S)-3-methylcyclohexyl]amino]-1,3,4-thiadiazole-2-thiol 5-[methyl-[(1S,3S)-3-methylcyclo…

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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) 3.19 6.68 -43.47 0 3 -1 29 242.393 2 ↓

Analogs

6382219
6382219

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Popular Name: 5-[methyl-[(1R,3R)-3-methylcyclohexyl]amino]-1,3,4-thiadiazole-2-thiol 5-[methyl-[(1R,3R)-3-methylcyclo…

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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) 3.19 6.68 -44.08 0 3 -1 29 242.393 2 ↓

Analogs

6382219
6382219

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Popular Name: 5-[methyl-[(1R,3S)-3-methylcyclohexyl]amino]-1,3,4-thiadiazole-2-thiol 5-[methyl-[(1R,3S)-3-methylcyclo…

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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) 3.19 6.95 -42.76 0 3 -1 29 242.393 2 ↓

Analogs

6382219
6382219

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Popular Name: 5-[methyl-[(1S,2R)-2-methylcyclohexyl]amino]-1,3,4-thiadiazole-2-thiol 5-[methyl-[(1S,2R)-2-methylcyclo…

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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) 3.42 5.74 -43.64 0 3 -1 29 242.393 2 ↓

Analogs

6382219
6382219

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Popular Name: 5-[methyl-[(1S,2S)-2-methylcyclohexyl]amino]-1,3,4-thiadiazole-2-thiol 5-[methyl-[(1S,2S)-2-methylcyclo…

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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) 3.42 7.31 -43.31 0 3 -1 29 242.393 2 ↓

Analogs

6382219
6382219

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Popular Name: 5-[methyl-[(1R,2R)-2-methylcyclohexyl]amino]-1,3,4-thiadiazole-2-thiol 5-[methyl-[(1R,2R)-2-methylcyclo…

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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) 3.42 7.31 -43.34 0 3 -1 29 242.393 2 ↓

Analogs

6382219
6382219

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Popular Name: 5-[methyl-[(1R,2S)-2-methylcyclohexyl]amino]-1,3,4-thiadiazole-2-thiol 5-[methyl-[(1R,2S)-2-methylcyclo…

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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) 3.42 6.72 -43.56 0 3 -1 29 242.393 2 ↓

Analogs

6382219
6382219

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Popular Name: 5-[methyl-(4-methylcyclohexyl)amino]-1,3,4-thiadiazole-2-thiol 5-[methyl-(4-methylcyclohexyl)am…

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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) 2.95 6.68 -44.01 0 3 -1 29 242.393 2 ↓

Analogs

6382219
6382219

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Popular Name: 5-[(4-ethylcyclohexyl)-methyl-amino]-1,3,4-thiadiazole-2-thiol 5-[(4-ethylcyclohexyl)-methyl-am…

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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) 3.64 7.6 -42.54 0 3 -1 29 256.42 3 ↓

Analogs

3296791
3296791

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Popular Name: 2-[[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[cyclohexyl(methyl)amino]-…

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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) 2.63 7.68 -45.82 0 5 -1 69 286.402 5 ↓

Analogs

3296791
3296791

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Popular Name: 2-[[5-[cyclohexyl(ethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[cyclohexyl(ethyl)amino]-1…

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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) 3.01 8.71 -46.9 0 5 -1 69 300.429 6 ↓

Analogs

3296791
3296791

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Popular Name: 2-[[5-[methyl-[(1S,3R)-3-methylcyclohexyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[methyl-[(1S,3R)-3-methylc…

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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) 2.64 8.29 -45.79 0 5 -1 69 300.429 5 ↓

Analogs

3296791
3296791

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Popular Name: 2-[[5-[methyl-[(1S,3S)-3-methylcyclohexyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[methyl-[(1S,3S)-3-methylc…

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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) 2.64 8.02 -46.09 0 5 -1 69 300.429 5 ↓

Analogs

3296791
3296791

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Popular Name: 2-[[5-[methyl-[(1R,3R)-3-methylcyclohexyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[methyl-[(1R,3R)-3-methylc…

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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) 2.64 8.02 -46.53 0 5 -1 69 300.429 5 ↓

Analogs

3296791
3296791

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Popular Name: 2-[[5-[methyl-[(1R,3S)-3-methylcyclohexyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[methyl-[(1R,3S)-3-methylc…

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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) 2.64 8.29 -45.86 0 5 -1 69 300.429 5 ↓

Analogs

3296791
3296791

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Popular Name: 2-[[5-[methyl-[(1S,2R)-2-methylcyclohexyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[methyl-[(1S,2R)-2-methylc…

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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) 2.87 7.07 -46.21 0 5 -1 69 300.429 5 ↓

Analogs

3296791
3296791

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Popular Name: 2-[[5-[methyl-[(1S,2S)-2-methylcyclohexyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[methyl-[(1S,2S)-2-methylc…

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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) 2.87 8.65 -46.12 0 5 -1 69 300.429 5 ↓

Analogs

3296791
3296791

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Popular Name: 2-[[5-[methyl-[(1R,2R)-2-methylcyclohexyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[methyl-[(1R,2R)-2-methylc…

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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) 2.87 8.65 -46.12 0 5 -1 69 300.429 5 ↓

Analogs

3296791
3296791

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[methyl-[(1R,2S)-2-methylcyclohexyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[methyl-[(1R,2S)-2-methylc…

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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) 2.87 8.07 -46.02 0 5 -1 69 300.429 5 ↓

Analogs

3296791
3296791

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Popular Name: 2-[[5-[methyl-(4-methylcyclohexyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[methyl-(4-methylcyclohexy…

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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) 2.40 8.03 -46.43 0 5 -1 69 300.429 5 ↓

Analogs

3296791
3296791

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Popular Name: 2-[[5-[(4-ethylcyclohexyl)-methyl-amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[(4-ethylcyclohexyl)-methy…

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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) 3.09 8.94 -45.71 0 5 -1 69 314.456 6 ↓

Analogs

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Popular Name: N-[(2R)-2-cyanopropyl]-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethyl-acetamide N-[(2R)-2-cyanopropyl]-2-[[5-(cy…

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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) 3.40 8.66 -13.19 1 6 0 82 367.544 8 ↓

Analogs

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Popular Name: N-[(2S)-2-cyanopropyl]-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-ethyl-acetamide N-[(2S)-2-cyanopropyl]-2-[[5-(cy…

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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) 3.40 8.63 -13.75 1 6 0 82 367.544 8 ↓

Analogs

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Popular Name: 5-butylsulfanyl-N-cyclohexyl-1,3,4-thiadiazol-2-amine 5-butylsulfanyl-N-cyclohexyl-1,3…

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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) 4.58 7.8 -6.3 1 3 0 38 271.455 6 ↓

Analogs

14565900
14565900

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Popular Name: (2R)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(isobutylcarbamoyl)propanamide (2R)-2-[[5-(cyclohexylamino)-1,3…

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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) 3.38 7.05 -17.36 3 7 0 96 385.559 7 ↓

Analogs

14565898
14565898

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Popular Name: (2S)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(isobutylcarbamoyl)propanamide (2S)-2-[[5-(cyclohexylamino)-1,3…

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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) 3.38 7.06 -17.37 3 7 0 96 385.559 7 ↓

Analogs

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Popular Name: N-(2-butoxyethyl)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide N-(2-butoxyethyl)-2-[[5-(cyclohe…

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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) 3.67 6.25 -10.52 2 6 0 76 372.56 11 ↓

Analogs

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Popular Name: 5-[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]-1,3,4-thiadiazole-2-thiol 5-[[(1S,2R,4R)-2,4-dimethylcyclo…

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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) 3.18 6.5 -40.68 1 3 -1 38 242.393 2 ↓

Analogs

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Popular Name: 5-[[(1S,2R,4S)-2,4-dimethylcyclohexyl]amino]-1,3,4-thiadiazole-2-thiol 5-[[(1S,2R,4S)-2,4-dimethylcyclo…

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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) 3.18 5.88 -40.63 1 3 -1 38 242.393 2 ↓

Analogs

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Popular Name: 5-[[(1R,2R,4R)-2,4-dimethylcyclohexyl]amino]-1,3,4-thiadiazole-2-thiol 5-[[(1R,2R,4R)-2,4-dimethylcyclo…

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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) 3.18 6.22 -40.94 1 3 -1 38 242.393 2 ↓

Analogs

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Popular Name: 5-[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]-1,3,4-thiadiazole-2-thiol 5-[[(1R,2R,4S)-2,4-dimethylcyclo…

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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) 3.18 5.98 -40.88 1 3 -1 38 242.393 2 ↓

Analogs

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Popular Name: 5-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentanamide 5-[[5-(cyclohexylamino)-1,3,4-th…

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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) 2.92 4.64 -14.51 3 5 0 81 314.48 8 ↓

Analogs

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Popular Name: 4-(1,3,4-thiadiazol-2-ylamino)cyclohexanecarboxylic 4-(1,3,4-thiadiazol-2-ylamino)cy…

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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) 1.06 4.91 -50.4 1 5 -1 78 226.281 3 ↓

Analogs

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Popular Name: 1-(1,3,4-thiadiazol-2-ylamino)cyclohexanecarboxylic 1-(1,3,4-thiadiazol-2-ylamino)cy…

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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) -0.25 4.98 -53.66 1 5 -1 78 226.281 3 ↓

Analogs

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Popular Name: 4-methyl-1-(1,3,4-thiadiazol-2-ylamino)cyclohexanecarboxylic 4-methyl-1-(1,3,4-thiadiazol-2-y…

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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) -0.47 5.57 -53.32 1 5 -1 78 240.308 3 ↓

Analogs

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Popular Name: (1R,3R)-3-methyl-1-(1,3,4-thiadiazol-2-ylamino)cyclohexanecarboxylic (1R,3R)-3-methyl-1-(1,3,4-thiadi…

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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) -0.24 5.58 -53.47 1 5 -1 78 240.308 3 ↓

Analogs

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Popular Name: (1R,3S)-3-methyl-1-(1,3,4-thiadiazol-2-ylamino)cyclohexanecarboxylic (1R,3S)-3-methyl-1-(1,3,4-thiadi…

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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) -0.24 5.21 -53.96 1 5 -1 78 240.308 3 ↓

Analogs

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Popular Name: (1S,3R)-3-methyl-1-(1,3,4-thiadiazol-2-ylamino)cyclohexanecarboxylic (1S,3R)-3-methyl-1-(1,3,4-thiadi…

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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) -0.24 5.21 -53.9 1 5 -1 78 240.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-methyl-1-(1,3,4-thiadiazol-2-ylamino)cyclohexanecarboxylic (1S,3S)-3-methyl-1-(1,3,4-thiadi…

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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) -0.24 5.58 -53.51 1 5 -1 78 240.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-(1,3,4-thiadiazol-2-ylamino)cyclohexanecarboxylic (1S,3R)-3-(1,3,4-thiadiazol-2-yl…

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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) 1.29 4.94 -46.61 1 5 -1 78 226.281 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-(1,3,4-thiadiazol-2-ylamino)cyclohexanecarboxylic (1S,3S)-3-(1,3,4-thiadiazol-2-yl…

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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) 1.29 5.25 -45.47 1 5 -1 78 226.281 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-(1,3,4-thiadiazol-2-ylamino)cyclohexanecarboxylic (1R,3R)-3-(1,3,4-thiadiazol-2-yl…

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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) 1.29 5.25 -45.52 1 5 -1 78 226.281 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-(1,3,4-thiadiazol-2-ylamino)cyclohexanecarboxylic (1R,3S)-3-(1,3,4-thiadiazol-2-yl…

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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) 1.29 4.94 -46.78 1 5 -1 78 226.281 3 ↓

Analogs

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Popular Name: N-cyclohexyl-N-(1,3,4-thiadiazol-2-yl)propane-1,3-diamine N-cyclohexyl-N-(1,3,4-thiadiazol…

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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) 1.74 5.05 -53.2 3 4 1 57 241.384 5 ↓

Analogs

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Popular Name: N1-(1,3,4-thiadiazol-2-yl)cyclohexane-1,4-diamine N1-(1,3,4-thiadiazol-2-yl)cycloh…

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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) 0.30 1.94 -51.95 4 4 1 65 199.303 2 ↓

Analogs

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Popular Name: 4-(1,3,4-thiadiazol-2-ylamino)cyclohexanol 4-(1,3,4-thiadiazol-2-ylamino)cy…

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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 1.37 -8.58 2 4 0 58 199.279 2 ↓

Analogs

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Popular Name: N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1,3,4-thiadiazol-2-amine N-[(1S,2R,3R)-2,3-dimethylcycloh…

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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) 2.90 5.31 -6.43 1 3 0 38 211.334 2 ↓

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Structural Results Found: (before additional filtering)

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