UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19865263
19865263

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Popular Name: (2R)-1-amino-3-(1-cyclopentyltetrazol-5-yl)sulfanyl-propan-2-ol (2R)-1-amino-3-(1-cyclopentyltet…

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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) -0.20 0.43 -58.94 4 6 1 91 244.344 5 ↓
Hi High (pH 8-9.5) -0.20 0.05 -10.04 3 6 0 90 243.336 5 ↓

Analogs

19865260
19865260

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Popular Name: (2S)-1-amino-3-(1-cyclopentyltetrazol-5-yl)sulfanyl-propan-2-ol (2S)-1-amino-3-(1-cyclopentyltet…

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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) -0.20 0.46 -58.84 4 6 1 91 244.344 5 ↓
Hi High (pH 8-9.5) -0.20 -0.13 -9.41 3 6 0 90 243.336 5 ↓

Analogs

19865271
19865271

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Popular Name: (2R)-1-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-methylamino-propan-2-ol (2R)-1-(1-cyclopentyltetrazol-5-…

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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) 0.78 2.28 -47.31 3 6 1 80 258.371 6 ↓
Hi High (pH 8-9.5) 0.78 0.71 -10.73 2 6 0 76 257.363 6 ↓

Analogs

19865266
19865266

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Popular Name: (2S)-1-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-methylamino-propan-2-ol (2S)-1-(1-cyclopentyltetrazol-5-…

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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) 0.78 2.28 -47.05 3 6 1 80 258.371 6 ↓
Hi High (pH 8-9.5) 0.78 0.79 -9.49 2 6 0 76 257.363 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 1.87 6.33 -8.22 0 6 0 70 256.331 6 ↓

Analogs

41678677
41678677

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Popular Name: methyl methyl

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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) 1.50 5.42 -8.58 0 6 0 70 242.304 5 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.46 6.21 -12.83 0 6 0 70 256.331 6 ↓

Analogs

42408852
42408852

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Popular Name: N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]butan-1-amine N-[2-(1-cyclopentyltetrazol-5-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) 2.51 7.02 -49.62 2 5 1 60 270.426 8 ↓

Analogs

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Popular Name: (2R)-N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]butan-2-amine (2R)-N-[2-(1-cyclopentyltetrazol…

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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 6.82 -46.02 2 5 1 60 270.426 7 ↓

Analogs

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Popular Name: (2S)-N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]butan-2-amine (2S)-N-[2-(1-cyclopentyltetrazol…

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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 6.81 -46.04 2 5 1 60 270.426 7 ↓

Analogs

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Popular Name: (2S)-N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-1-methoxy-propan-2-amine (2S)-N-[2-(1-cyclopentyltetrazol…

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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 5.22 -46.6 2 6 1 69 286.425 8 ↓
Hi High (pH 8-9.5) 1.74 3.97 -8.99 1 6 0 65 285.417 8 ↓

Analogs

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Popular Name: (2R)-N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-1-methoxy-propan-2-amine (2R)-N-[2-(1-cyclopentyltetrazol…

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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 5.21 -46.64 2 6 1 69 286.425 8 ↓
Hi High (pH 8-9.5) 1.74 3.98 -8.4 1 6 0 65 285.417 8 ↓

Analogs

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Popular Name: (2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine (2S)-2-(1-cyclopentyltetrazol-5-…

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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) 1.42 5.38 -48.54 2 6 1 69 286.425 8 ↓
Hi High (pH 8-9.5) 1.42 3.96 -9.21 1 6 0 65 285.417 8 ↓

Analogs

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Popular Name: (2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine (2R)-2-(1-cyclopentyltetrazol-5-…

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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) 1.42 5.39 -48.11 2 6 1 69 286.425 8 ↓
Hi High (pH 8-9.5) 1.42 4.08 -8.37 1 6 0 65 285.417 8 ↓

Analogs

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Popular Name: N-[(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]-2-methyl-propan-2-amine N-[(2S)-2-(1-cyclopentyltetrazol…

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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) 2.97 7.21 -44.53 2 5 1 60 284.453 6 ↓
Hi High (pH 8-9.5) 2.97 5.96 -7.02 1 5 0 56 283.445 6 ↓

Analogs

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Popular Name: N-[(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]-2-methyl-propan-2-amine N-[(2R)-2-(1-cyclopentyltetrazol…

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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) 2.97 7.2 -44.5 2 5 1 60 284.453 6 ↓
Hi High (pH 8-9.5) 2.97 6.06 -6.72 1 5 0 56 283.445 6 ↓

Analogs

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Popular Name: (2S)-N-allyl-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-propan-1-amine (2S)-N-allyl-2-(1-cyclopentyltet…

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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) 2.08 6.82 -49.01 2 5 1 60 268.41 7 ↓
Hi High (pH 8-9.5) 2.08 5.42 -7.44 1 5 0 56 267.402 7 ↓

Analogs

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Popular Name: (2R)-N-allyl-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-propan-1-amine (2R)-N-allyl-2-(1-cyclopentyltet…

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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) 2.08 6.82 -48.87 2 5 1 60 268.41 7 ↓
Hi High (pH 8-9.5) 2.08 5.55 -7.11 1 5 0 56 267.402 7 ↓

Analogs

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Popular Name: N-[(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]-2-methyl-propan-1-amine N-[(2R)-2-(1-cyclopentyltetrazol…

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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) 2.56 7.7 -48.99 2 5 1 60 284.453 7 ↓

Analogs

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Popular Name: N-[(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]-2-methyl-propan-1-amine N-[(2S)-2-(1-cyclopentyltetrazol…

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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) 2.56 7.7 -48.95 2 5 1 60 284.453 7 ↓

Analogs

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Popular Name: (2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propyl-propan-1-amine (2R)-2-(1-cyclopentyltetrazol-5-…

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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) 2.31 7 -48.98 2 5 1 60 270.426 7 ↓

Analogs

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Popular Name: (2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propyl-propan-1-amine (2S)-2-(1-cyclopentyltetrazol-5-…

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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) 2.31 7 -49.02 2 5 1 60 270.426 7 ↓

Analogs

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Popular Name: N-[(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]-2-methyl-butan-2-amine N-[(2R)-2-(1-cyclopentyltetrazol…

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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) 3.47 7.69 -45.16 2 5 1 60 298.48 7 ↓

Analogs

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Popular Name: N-[(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]-2-methyl-butan-2-amine N-[(2S)-2-(1-cyclopentyltetrazol…

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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) 3.47 7.69 -45.19 2 5 1 60 298.48 7 ↓

Analogs

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Popular Name: (2R)-N-[(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]butan-2-amine (2R)-N-[(2R)-2-(1-cyclopentyltet…

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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) 2.99 7.59 -46.14 2 5 1 60 284.453 7 ↓

Analogs

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Popular Name: (2S)-N-[(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]butan-2-amine (2S)-N-[(2R)-2-(1-cyclopentyltet…

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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) 2.99 7.59 -45.92 2 5 1 60 284.453 7 ↓

Analogs

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Popular Name: (2R)-N-[(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]butan-2-amine (2R)-N-[(2S)-2-(1-cyclopentyltet…

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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) 2.99 7.59 -45.92 2 5 1 60 284.453 7 ↓

Analogs

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Popular Name: (2S)-N-[(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]butan-2-amine (2S)-N-[(2S)-2-(1-cyclopentyltet…

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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) 2.99 7.59 -46.2 2 5 1 60 284.453 7 ↓

Analogs

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Popular Name: N-[(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]pentan-3-amine N-[(2R)-2-(1-cyclopentyltetrazol…

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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) 3.53 8.2 -46.82 2 5 1 60 298.48 8 ↓

Analogs

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Popular Name: N-[(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]pentan-3-amine N-[(2S)-2-(1-cyclopentyltetrazol…

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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) 3.53 8.21 -46.61 2 5 1 60 298.48 8 ↓

Analogs

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Popular Name: N-[(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]-3-ethoxy-propan-1-amine N-[(2R)-2-(1-cyclopentyltetrazol…

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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 7.04 -52.48 2 6 1 69 314.479 10 ↓
Hi High (pH 8-9.5) 2.06 5.68 -8.87 1 6 0 65 313.471 10 ↓

Analogs

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Popular Name: N-[(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]-3-ethoxy-propan-1-amine N-[(2S)-2-(1-cyclopentyltetrazol…

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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 7.04 -52.51 2 6 1 69 314.479 10 ↓
Hi High (pH 8-9.5) 2.06 5.81 -8.56 1 6 0 65 313.471 10 ↓

Analogs

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Popular Name: N-[(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]pentan-1-amine N-[(2R)-2-(1-cyclopentyltetrazol…

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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 8.56 -50.38 2 5 1 60 298.48 9 ↓

Analogs

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Popular Name: N-[(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]pentan-1-amine N-[(2S)-2-(1-cyclopentyltetrazol…

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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 8.56 -50.44 2 5 1 60 298.48 9 ↓

Analogs

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Popular Name: N-[(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]butan-1-amine N-[(2R)-2-(1-cyclopentyltetrazol…

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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 7.78 -49.83 2 5 1 60 284.453 8 ↓

Analogs

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Popular Name: N-[(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]butan-1-amine N-[(2S)-2-(1-cyclopentyltetrazol…

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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 7.78 -49.92 2 5 1 60 284.453 8 ↓

Analogs

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Popular Name: (2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-methoxypropyl)propan-1-amine (2S)-2-(1-cyclopentyltetrazol-5-…

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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) 1.69 6.07 -52.6 2 6 1 69 300.452 9 ↓
Hi High (pH 8-9.5) 1.69 4.71 -8.96 1 6 0 65 299.444 9 ↓

Analogs

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Popular Name: (2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-methoxypropyl)propan-1-amine (2R)-2-(1-cyclopentyltetrazol-5-…

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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) 1.69 6.07 -52.49 2 6 1 69 300.452 9 ↓
Hi High (pH 8-9.5) 1.69 4.84 -8.68 1 6 0 65 299.444 9 ↓

Analogs

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Popular Name: N-[(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]-3-methyl-butan-1-amine N-[(2R)-2-(1-cyclopentyltetrazol…

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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 8.29 -50.54 2 5 1 60 298.48 8 ↓

Analogs

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Popular Name: N-[(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]-3-methyl-butan-1-amine N-[(2S)-2-(1-cyclopentyltetrazol…

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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 8.28 -50.66 2 5 1 60 298.48 8 ↓

Analogs

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Popular Name: (2R)-N-[(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]pentan-2-amine (2R)-N-[(2R)-2-(1-cyclopentyltet…

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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) 3.55 8.35 -47.25 2 5 1 60 298.48 8 ↓

Analogs

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Popular Name: (2S)-N-[(2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]pentan-2-amine (2S)-N-[(2R)-2-(1-cyclopentyltet…

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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) 3.55 8.34 -46.98 2 5 1 60 298.48 8 ↓

Analogs

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Popular Name: (2R)-N-[(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]pentan-2-amine (2R)-N-[(2S)-2-(1-cyclopentyltet…

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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) 3.55 8.35 -47 2 5 1 60 298.48 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropyl]pentan-2-amine (2S)-N-[(2S)-2-(1-cyclopentyltet…

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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) 3.55 8.34 -47.31 2 5 1 60 298.48 8 ↓

Analogs

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Popular Name: (2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-prop-2-ynyl-propan-1-amine (2S)-2-(1-cyclopentyltetrazol-5-…

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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) 1.59 5.36 -9 1 5 0 56 265.386 6 ↓
Mid Mid (pH 6-8) 1.59 6.75 -51.18 2 5 1 60 266.394 6 ↓

Analogs

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Popular Name: (2R)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-prop-2-ynyl-propan-1-amine (2R)-2-(1-cyclopentyltetrazol-5-…

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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) 1.59 5.49 -8.66 1 5 0 56 265.386 6 ↓
Mid Mid (pH 6-8) 1.59 6.76 -51.16 2 5 1 60 266.394 6 ↓

Analogs

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Popular Name: 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-propyl-butan-1-amine 4-(1-cyclopentyltetrazol-5-yl)su…

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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) 2.49 7.81 -47.04 2 5 1 60 284.453 9 ↓

Analogs

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Popular Name: 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-isopropyl-butan-1-amine 4-(1-cyclopentyltetrazol-5-yl)su…

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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 7.59 -45.05 2 5 1 60 284.453 8 ↓

Analogs

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Popular Name: N-tert-butyl-4-(1-cyclopentyltetrazol-5-yl)sulfanyl-butan-1-amine N-tert-butyl-4-(1-cyclopentyltet…

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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) 3.15 8.02 -43.96 2 5 1 60 298.48 8 ↓

Analogs

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Popular Name: 4-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-isobutyl-butan-1-amine 4-(1-cyclopentyltetrazol-5-yl)su…

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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) 2.73 8.49 -47.24 2 5 1 60 298.48 9 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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