UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43799455
43799455
43799458
43799458
43799464
43799464

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-chloro-1-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propy N-[(1S,2R)-2-chloro-1-[(2R,3R,4S…

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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) 2.96 4.14 -12.45 4 7 0 112 461.024 10 ↓

Analogs

43799455
43799455
43799458
43799458
43799464
43799464

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-chloro-1-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propy N-[(1R,2R)-2-chloro-1-[(2R,3R,4S…

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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) 2.96 4.95 -9.36 4 7 0 112 461.024 10 ↓

Analogs

43799455
43799455
43799458
43799458
43799464
43799464

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-chloro-1-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propy N-[(1S,2R)-2-chloro-1-[(2S,3R,4S…

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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) 2.96 3.66 -9.19 4 7 0 112 461.024 10 ↓

Analogs

43799455
43799455
43799458
43799458
43799464
43799464

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-chloro-1-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propy N-[(1R,2R)-2-chloro-1-[(2S,3R,4S…

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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) 2.96 3.78 -8.71 4 7 0 112 461.024 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-chloro-1-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propy N-[(1S,2R)-2-chloro-1-[(2R,3R,4S…

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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 0.19 -12.65 4 7 0 112 390.889 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-chloro-1-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propy N-[(1R,2R)-2-chloro-1-[(2R,3R,4S…

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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 1.01 -9.91 4 7 0 112 390.889 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-chloro-1-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propy N-[(1S,2R)-2-chloro-1-[(2S,3R,4S…

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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 -0.28 -9.46 4 7 0 112 390.889 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-chloro-1-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propy N-[(1R,2R)-2-chloro-1-[(2S,3R,4S…

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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 -0.17 -9.22 4 7 0 112 390.889 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-chloro-1-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propy N-[(1S,2R)-2-chloro-1-[(2R,3R,4S…

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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) 1.00 1.02 -12.56 4 7 0 112 404.916 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-chloro-1-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propy N-[(1R,2R)-2-chloro-1-[(2R,3R,4S…

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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) 1.00 1.83 -9.58 4 7 0 112 404.916 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-chloro-1-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propy N-[(1S,2R)-2-chloro-1-[(2S,3R,4S…

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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) 1.00 0.54 -9.37 4 7 0 112 404.916 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-chloro-1-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propy N-[(1R,2R)-2-chloro-1-[(2S,3R,4S…

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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) 1.00 0.65 -8.92 4 7 0 112 404.916 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-chloro-1-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propy N-[(1S,2R)-2-chloro-1-[(2R,3R,4S…

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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 1 -12.3 4 7 0 112 404.916 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-chloro-1-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propy N-[(1R,2R)-2-chloro-1-[(2R,3R,4S…

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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 1.81 -9.4 4 7 0 112 404.916 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-chloro-1-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propy N-[(1S,2R)-2-chloro-1-[(2S,3R,4S…

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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 0.52 -9.15 4 7 0 112 404.916 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-chloro-1-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propy N-[(1R,2R)-2-chloro-1-[(2S,3R,4S…

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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 0.63 -8.99 4 7 0 112 404.916 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-chloro-1-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propy N-[(1S,2R)-2-chloro-1-[(2R,3R,4S…

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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) 1.39 1.8 -12.43 4 7 0 112 418.943 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-chloro-1-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propy N-[(1R,2R)-2-chloro-1-[(2R,3R,4S…

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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) 1.39 2.61 -9.38 4 7 0 112 418.943 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-chloro-1-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propy N-[(1S,2R)-2-chloro-1-[(2S,3R,4S…

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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) 1.39 1.32 -9.24 4 7 0 112 418.943 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-chloro-1-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propy N-[(1R,2R)-2-chloro-1-[(2S,3R,4S…

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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) 1.39 1.43 -8.78 4 7 0 112 418.943 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-chloro-1-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propy N-[(1S,2R)-2-chloro-1-[(2R,3R,4S…

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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) 0.67 1 -12.07 4 7 0 112 404.916 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-chloro-1-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propy N-[(1R,2R)-2-chloro-1-[(2R,3R,4S…

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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) 0.67 1.82 -9.24 4 7 0 112 404.916 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S,2R)-2-chloro-1-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propy N-[(1S,2R)-2-chloro-1-[(2S,3R,4S…

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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) 0.67 0.53 -8.93 4 7 0 112 404.916 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R,2R)-2-chloro-1-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propy N-[(1R,2R)-2-chloro-1-[(2S,3R,4S…

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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) 0.67 0.64 -8.63 4 7 0 112 404.916 6 ↓

Analogs

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Popular Name: 2-methyl-6-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]carbamoyl]pyridine-3-carboxylic 2-methyl-6-[methyl-[[(2S)-tetrah…

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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) 1.05 6.93 -43.7 0 6 -1 83 291.327 4 ↓

Analogs

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Popular Name: 2-methyl-6-[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]carbamoyl]pyridine-3-carboxylic 2-methyl-6-[methyl-[[(2R)-tetrah…

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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) 1.05 7.71 -46.61 0 6 -1 83 291.327 4 ↓

Analogs

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Popular Name: 6-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]carbamoyl]pyridine-2-carboxylic 6-[methyl-[[(2S)-tetrahydropyran…

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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) 0.73 7.02 -47.92 0 6 -1 83 277.3 4 ↓

Analogs

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Popular Name: 6-[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]carbamoyl]pyridine-2-carboxylic 6-[methyl-[[(2R)-tetrahydropyran…

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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) 0.73 6.37 -47.21 0 6 -1 83 277.3 4 ↓

Analogs

42825079
42825079
42825076
42825076

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Popular Name: N-[[(2S)-tetrahydropyran-2-yl]methyl]pyridine-2-carboxamide N-[[(2S)-tetrahydropyran-2-yl]me…

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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 3 -8.47 1 4 0 51 220.272 3 ↓

Analogs

42825079
42825079
42825076
42825076

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Popular Name: N-[[(2R)-tetrahydropyran-2-yl]methyl]pyridine-2-carboxamide N-[[(2R)-tetrahydropyran-2-yl]me…

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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 3.06 -8.43 1 4 0 51 220.272 3 ↓

Analogs

42425314
42425314
42425315
42425315
42425324
42425324

Draw Identity 99% 90% 80% 70%

Popular Name: 3-hydroxy-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]pyridine-2-carboxamide 3-hydroxy-N-methyl-N-[[(2S)-tetr…

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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) 1.20 4.77 -12.25 1 5 0 63 250.298 3 ↓
Hi High (pH 8-9.5) 1.20 3.93 -31.25 1 5 0 67 250.298 3 ↓
Mid Mid (pH 6-8) 1.20 5.78 -57.43 0 5 -1 65 249.29 3 ↓

Analogs

42425314
42425314
42425315
42425315
42425324
42425324

Draw Identity 99% 90% 80% 70%

Popular Name: 3-hydroxy-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]pyridine-2-carboxamide 3-hydroxy-N-methyl-N-[[(2R)-tetr…

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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) 1.20 4.36 -10.07 1 5 0 63 250.298 3 ↓
Hi High (pH 8-9.5) 1.20 3.29 -28.65 1 5 0 67 250.298 3 ↓
Mid Mid (pH 6-8) 1.20 5.37 -53.15 0 5 -1 65 249.29 3 ↓

Parameters Provided:

ring.id = 510534
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 = 510534 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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