UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-tert-butyl-2-[(1-cyclopropyltetrazol-5-yl)methyl-ethyl-amino]acetamide N-tert-butyl-2-[(1-cyclopropylte…

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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) 0.76 5.18 -45.33 2 7 1 77 281.384 7 ↓
Hi High (pH 8-9.5) 0.76 2.93 -18.99 1 7 0 76 280.376 7 ↓

Analogs

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Popular Name: (2S)-2-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methyl-propanenitrile (2S)-2-amino-3-(1-cyclopropyltet…

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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) 0.23 2.03 -13.08 2 6 0 93 224.293 4 ↓
Lo Low (pH 4.5-6) 0.23 2.3 -60.45 3 6 1 95 225.301 4 ↓

Analogs

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Popular Name: (2R)-2-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methyl-propanenitrile (2R)-2-amino-3-(1-cyclopropyltet…

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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) 0.23 2.08 -12.41 2 6 0 93 224.293 4 ↓
Lo Low (pH 4.5-6) 0.23 2.34 -60.22 3 6 1 95 225.301 4 ↓

Analogs

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Popular Name: (2S)-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methyl-2-(methylamino)propanenitrile (2S)-3-(1-cyclopropyltetrazol-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) 0.61 2.56 -13.13 1 6 0 79 238.32 5 ↓
Lo Low (pH 4.5-6) 0.61 3.84 -54.99 2 6 1 84 239.328 5 ↓

Analogs

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Popular Name: (2R)-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methyl-2-(methylamino)propanenitrile (2R)-3-(1-cyclopropyltetrazol-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) 0.61 2.54 -10.38 1 6 0 79 238.32 5 ↓
Lo Low (pH 4.5-6) 0.61 3.83 -53.88 2 6 1 84 239.328 5 ↓

Analogs

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Popular Name: (2R)-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(ethylamino)-2-methyl-propanenitrile (2R)-3-(1-cyclopropyltetrazol-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) 0.98 3.52 -11.37 1 6 0 79 252.347 6 ↓
Lo Low (pH 4.5-6) 0.98 4.67 -51.76 2 6 1 84 253.355 6 ↓

Analogs

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Popular Name: (2S)-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(ethylamino)-2-methyl-propanenitrile (2S)-3-(1-cyclopropyltetrazol-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) 0.98 3.53 -11.8 1 6 0 79 252.347 6 ↓
Lo Low (pH 4.5-6) 0.98 4.69 -52.78 2 6 1 84 253.355 6 ↓

Analogs

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Popular Name: (2R)-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methyl-2-(propylamino)propanenitrile (2R)-3-(1-cyclopropyltetrazol-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) 1.48 4.28 -11.39 1 6 0 79 266.374 7 ↓
Lo Low (pH 4.5-6) 1.48 5.44 -52.55 2 6 1 84 267.382 7 ↓

Analogs

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Popular Name: (2S)-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methyl-2-(propylamino)propanenitrile (2S)-3-(1-cyclopropyltetrazol-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) 1.48 4.29 -11.82 1 6 0 79 266.374 7 ↓
Lo Low (pH 4.5-6) 1.48 5.44 -53.59 2 6 1 84 267.382 7 ↓

Analogs

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Popular Name: (2R)-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(isopropylamino)-2-methyl-propanenitrile (2R)-3-(1-cyclopropyltetrazol-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) 1.28 4.21 -11.4 1 6 0 79 266.374 6 ↓
Lo Low (pH 4.5-6) 1.28 5 -50.91 2 6 1 84 267.382 6 ↓

Analogs

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Popular Name: (2S)-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(isopropylamino)-2-methyl-propanenitrile (2S)-3-(1-cyclopropyltetrazol-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) 1.28 4.23 -11.53 1 6 0 79 266.374 6 ↓
Lo Low (pH 4.5-6) 1.28 5.02 -51.55 2 6 1 84 267.382 6 ↓

Analogs

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Popular Name: (2R)-2-amino-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methyl-butanenitrile (2R)-2-amino-4-(1-cyclopropyltet…

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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) 0.50 2.84 -11.65 2 6 0 93 238.32 5 ↓
Lo Low (pH 4.5-6) 0.50 3.07 -58.13 3 6 1 95 239.328 5 ↓

Analogs

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Popular Name: (2S)-2-amino-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methyl-butanenitrile (2S)-2-amino-4-(1-cyclopropyltet…

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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) 0.50 2.85 -12.28 2 6 0 93 238.32 5 ↓
Lo Low (pH 4.5-6) 0.50 3.12 -57.92 3 6 1 95 239.328 5 ↓

Analogs

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Popular Name: (2R)-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methyl-2-(methylamino)butanenitrile (2R)-4-(1-cyclopropyltetrazol-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) 0.88 3.12 -14.99 1 6 0 79 252.347 6 ↓
Mid Mid (pH 6-8) 0.88 4.41 -59.99 2 6 1 84 253.355 6 ↓

Analogs

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Popular Name: (2S)-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methyl-2-(methylamino)butanenitrile (2S)-4-(1-cyclopropyltetrazol-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) 0.88 3.12 -13.54 1 6 0 79 252.347 6 ↓
Mid Mid (pH 6-8) 0.88 4.41 -60.1 2 6 1 84 253.355 6 ↓

Analogs

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Popular Name: (2S)-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(ethylamino)-2-methyl-butanenitrile (2S)-4-(1-cyclopropyltetrazol-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) 1.25 4.03 -14.94 1 6 0 79 266.374 7 ↓
Mid Mid (pH 6-8) 1.25 5.24 -58.03 2 6 1 84 267.382 7 ↓

Analogs

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Popular Name: (2R)-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(ethylamino)-2-methyl-butanenitrile (2R)-4-(1-cyclopropyltetrazol-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) 1.25 4.03 -13.33 1 6 0 79 266.374 7 ↓
Mid Mid (pH 6-8) 1.25 5.25 -57.93 2 6 1 84 267.382 7 ↓

Analogs

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Popular Name: (2S)-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methyl-2-(propylamino)butanenitrile (2S)-4-(1-cyclopropyltetrazol-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) 1.76 4.79 -14.97 1 6 0 79 280.401 8 ↓
Mid Mid (pH 6-8) 1.76 6.02 -59.22 2 6 1 84 281.409 8 ↓

Analogs

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Popular Name: (2R)-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methyl-2-(propylamino)butanenitrile (2R)-4-(1-cyclopropyltetrazol-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) 1.76 4.79 -13.35 1 6 0 79 280.401 8 ↓
Mid Mid (pH 6-8) 1.76 6.02 -59.12 2 6 1 84 281.409 8 ↓

Analogs

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Popular Name: (2S)-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(isopropylamino)-2-methyl-butanenitrile (2S)-4-(1-cyclopropyltetrazol-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) 1.55 4.71 -14.94 1 6 0 79 280.401 7 ↓
Mid Mid (pH 6-8) 1.55 5.57 -57.31 2 6 1 84 281.409 7 ↓

Analogs

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Popular Name: (2R)-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-(isopropylamino)-2-methyl-butanenitrile (2R)-4-(1-cyclopropyltetrazol-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) 1.55 4.73 -13.08 1 6 0 79 280.401 7 ↓
Mid Mid (pH 6-8) 1.55 5.58 -57.31 2 6 1 84 281.409 7 ↓

Analogs

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Popular Name: 1-(1-cyclopropyltetrazol-5-yl)-N-methyl-methanamine 1-(1-cyclopropyltetrazol-5-yl)-N…

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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) -0.65 2.07 -52.6 2 5 1 60 154.197 3 ↓
Hi High (pH 8-9.5) -0.65 0.64 -8.89 1 5 0 56 153.189 3 ↓

Analogs

19865292
19865292

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

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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) -1.24 -0.82 -59.19 4 6 1 91 216.29 5 ↓
Hi High (pH 8-9.5) -1.24 -1.2 -10.53 3 6 0 90 215.282 5 ↓

Analogs

19865289
19865289

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

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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) -1.24 -0.8 -59.11 4 6 1 91 216.29 5 ↓
Hi High (pH 8-9.5) -1.24 -1.39 -9.91 3 6 0 90 215.282 5 ↓

Analogs

19865299
19865299

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Popular Name: (2R)-1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methylamino-propan-2-ol (2R)-1-(1-cyclopropyltetrazol-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) -0.26 0.97 -47.45 3 6 1 80 230.317 6 ↓
Hi High (pH 8-9.5) -0.26 -0.6 -11.3 2 6 0 76 229.309 6 ↓

Analogs

19865296
19865296

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Popular Name: (2S)-1-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methylamino-propan-2-ol (2S)-1-(1-cyclopropyltetrazol-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) -0.26 0.97 -47.24 3 6 1 80 230.317 6 ↓
Hi High (pH 8-9.5) -0.26 -0.52 -10.13 2 6 0 76 229.309 6 ↓

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) 0.43 4.92 -13.72 0 6 0 70 228.277 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) 0.84 5.02 -9 0 6 0 70 228.277 6 ↓

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) 0.46 4.11 -9.41 0 6 0 70 214.25 5 ↓

Analogs

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Popular Name: (2S)-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methyl-pentanoic (2S)-2-[[2-(1-cyclopropyltetrazo…

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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) -1.15 5.7 -52.46 1 8 -1 113 312.375 8 ↓

Analogs

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Popular Name: (2R)-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methyl-pentanoic (2R)-2-[[2-(1-cyclopropyltetrazo…

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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) -1.15 5.7 -52.46 1 8 -1 113 312.375 8 ↓

Analogs

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Popular Name: N-[2-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]butan-1-amine N-[2-(1-cyclopropyltetrazol-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) 1.47 5.76 -49.89 2 5 1 60 242.372 8 ↓

Analogs

42408883
42408883

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

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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) 1.60 5.56 -46.42 2 5 1 60 242.372 7 ↓

Analogs

42408883
42408883

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

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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) 1.60 5.57 -46.43 2 5 1 60 242.372 7 ↓

Analogs

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

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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) 0.70 3.97 -46.98 2 6 1 69 258.371 8 ↓
Hi High (pH 8-9.5) 0.70 2.72 -9.71 1 6 0 65 257.363 8 ↓

Analogs

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

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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) 0.70 3.97 -46.97 2 6 1 69 258.371 8 ↓
Hi High (pH 8-9.5) 0.70 2.73 -9.17 1 6 0 65 257.363 8 ↓

Analogs

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Popular Name: (2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine (2S)-2-(1-cyclopropyltetrazol-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) 0.38 4.13 -48.63 2 6 1 69 258.371 8 ↓
Hi High (pH 8-9.5) 0.38 2.71 -9.96 1 6 0 65 257.363 8 ↓

Analogs

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Popular Name: (2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine (2R)-2-(1-cyclopropyltetrazol-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) 0.38 4.13 -48.39 2 6 1 69 258.371 8 ↓
Hi High (pH 8-9.5) 0.38 2.84 -9.1 1 6 0 65 257.363 8 ↓

Analogs

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

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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) 1.94 5.95 -44.67 2 5 1 60 256.399 6 ↓
Hi High (pH 8-9.5) 1.94 4.71 -7.74 1 5 0 56 255.391 6 ↓

Analogs

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

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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) 1.94 5.96 -44.65 2 5 1 60 256.399 6 ↓
Hi High (pH 8-9.5) 1.94 4.82 -7.45 1 5 0 56 255.391 6 ↓

Analogs

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

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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) 1.04 5.56 -49.34 2 5 1 60 240.356 7 ↓
Hi High (pH 8-9.5) 1.04 4.17 -8.21 1 5 0 56 239.348 7 ↓

Analogs

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

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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) 1.04 5.57 -49.02 2 5 1 60 240.356 7 ↓
Hi High (pH 8-9.5) 1.04 4.31 -7.88 1 5 0 56 239.348 7 ↓

Analogs

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

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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) 1.52 6.45 -48.99 2 5 1 60 256.399 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.52 6.44 -49.27 2 5 1 60 256.399 7 ↓

Analogs

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Popular Name: (2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propyl-propan-1-amine (2R)-2-(1-cyclopropyltetrazol-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) 1.28 5.75 -49.06 2 5 1 60 242.372 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-propyl-propan-1-amine (2S)-2-(1-cyclopropyltetrazol-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) 1.28 5.75 -49.31 2 5 1 60 242.372 7 ↓

Analogs

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

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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) 2.44 6.44 -45.29 2 5 1 60 270.426 7 ↓

Analogs

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

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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) 2.44 6.44 -45.26 2 5 1 60 270.426 7 ↓

Analogs

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

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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) 1.96 6.33 -46.26 2 5 1 60 256.399 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 1.96 6.34 -45.98 2 5 1 60 256.399 7 ↓

Parameters Provided:

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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 = 14605 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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