UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2,3-dihydro-1h-pyrido[3,4-b][1,4]oxazine-8-carbonitrile 2,3-dihydro-1h-pyrido[3,4-b][1,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.31 1.2 -6.08 1 4 0 58 161.164 0 ↓
Lo Low (pH 4.5-6) 0.31 1.67 -37.6 2 4 1 59 162.172 0 ↓

Analogs

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Popular Name: 1-(6-bromo-2,3-dihydro-1h-pyrido[2,3-b][1,4]-oxazin-1-yl)-2,2-dimethylpropan-1-one 1-(6-bromo-2,3-dihydro-1h-pyrido…

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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 3.17 -10.82 0 4 0 42 299.168 1 ↓

Analogs

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Popular Name: 6-(3-iodopyridin-4-yloxy)furo[3,2-b]pyridine 6-(3-iodopyridin-4-yloxy)furo[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) 3.20 5.28 -7.16 0 4 0 48 338.104 2 ↓
Lo Low (pH 4.5-6) 3.20 5.75 -38.71 1 4 1 49 339.112 2 ↓

Analogs

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Popular Name: 6-(3-iodopyridin-2-yloxy)furo[3,2-b]pyridine 6-(3-iodopyridin-2-yloxy)furo[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) 3.40 4.49 -9.49 0 4 0 48 338.104 2 ↓

Analogs

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Popular Name: 3-(furo[3,2-b]pyridin-6-yl)prop-2-yn-1-ol 3-(furo[3,2-b]pyridin-6-yl)prop-…

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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) 0.91 1.83 -10.4 1 3 0 46 173.171 0 ↓

Analogs

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Popular Name: 1,1'-(5-Methyl-1H-pyrrolo[2,3-b]pyridine-1,3-diyl)diethanone 1,1'-(5-Methyl-1H-pyrrolo[2,3-b]…

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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) 1.84 6.47 -21.58 0 4 0 52 216.24 1 ↓

Analogs

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Popular Name: 3-allyl-2-methoxy-6-(pyrrolidin-1-yl)pyridine 3-allyl-2-methoxy-6-(pyrrolidin-…

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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) 2.72 6.07 -5.89 0 3 0 25 218.3 4 ↓

Analogs

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Popular Name: 2-fluoro-3,4-diiodo-6-(pyrrolidin-1-yl)pyridine 2-fluoro-3,4-diiodo-6-(pyrrolidi…

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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) 4.09 7.47 -4.36 0 2 0 16 417.991 1 ↓

Analogs

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Popular Name: 3-bromo-2-fluoro-4-iodo-6-(pyrrolidin-1-yl)-pyridine 3-bromo-2-fluoro-4-iodo-6-(pyrro…

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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) 3.82 7.02 -4.41 0 2 0 16 370.991 1 ↓

Analogs

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Popular Name: 2-methoxy-6-(pyrrolidin-1-yl)nicotinaldehyde 2-methoxy-6-(pyrrolidin-1-yl)nic…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.68 3.85 -7.07 0 4 0 42 206.245 3 ↓

Analogs

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Popular Name: (E)-2-Fluoro-6-(pyrrolidin-1-yl)nicotinaldehyde oxime (E)-2-Fluoro-6-(pyrrolidin-1-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) 2.42 3.39 -11.41 1 4 0 49 209.224 2 ↓

Analogs

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Popular Name: 2-fluoro-6-(pyrrolidin-1-yl)nicotinonitrile 2-fluoro-6-(pyrrolidin-1-yl)nico…

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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 5.82 -8.84 0 3 0 40 191.209 1 ↓

Analogs

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Popular Name: 3-chloro-2-fluoro-4-iodo-6-(pyrrolidin-1-yl)-pyridine 3-chloro-2-fluoro-4-iodo-6-(pyrr…

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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) 3.69 6.94 -4.42 0 2 0 16 326.54 1 ↓

Analogs

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Popular Name: (E)-Methyl 3-(4-chloropyridin-3-yl)acrylate (E)-Methyl 3-(4-chloropyridin-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) 1.72 5.06 -6.99 0 3 0 39 197.621 3 ↓

Analogs

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Popular Name: (2-fluoro-6-(pyrrolidin-1-yl)pyridin-3-yl)methanol (2-fluoro-6-(pyrrolidin-1-yl)pyr…

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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) 1.34 2.89 -7.22 1 3 0 36 196.225 2 ↓
Lo Low (pH 4.5-6) 1.34 3.34 -23.9 2 3 1 38 197.233 2 ↓

Analogs

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Popular Name: tert-Butyl (4-chloro-3-formylpyridin-2-yl)carbamate tert-Butyl (4-chloro-3-formylpyr…

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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) 2.28 4.84 -9.88 1 5 0 68 256.689 4 ↓

Analogs

39961336
39961336

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Popular Name: tert-Butyl 3-(2-methoxy-5-methylpyridin-3-yl)-pyrrolidine-1-carboxylate tert-Butyl 3-(2-methoxy-5-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) 2.64 5.55 -8.34 0 5 0 52 292.379 4 ↓

Analogs

39961337
39961337

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Popular Name: tert-Butyl 3-(2-methoxy-5-methylpyridin-3-yl)-pyrrolidine-1-carboxylate tert-Butyl 3-(2-methoxy-5-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) 2.64 5.56 -9.02 0 5 0 52 292.379 4 ↓

Analogs

39961334
39961334

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Popular Name: 3-(1-benzylpyrrolidin-3-yl)-2-methoxy-5-methylpyridine 3-(1-benzylpyrrolidin-3-yl)-2-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) 3.01 6.01 -5.07 0 3 0 25 282.387 4 ↓
Mid Mid (pH 6-8) 3.01 8.35 -40.54 1 3 1 27 283.395 4 ↓

Analogs

39961335
39961335

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Popular Name: 3-(1-benzylpyrrolidin-3-yl)-2-methoxy-5-methylpyridine 3-(1-benzylpyrrolidin-3-yl)-2-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) 3.01 6 -4.8 0 3 0 25 282.387 4 ↓
Mid Mid (pH 6-8) 3.01 8.46 -41.1 1 3 1 27 283.395 4 ↓

Analogs

39961332
39961332

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Popular Name: tert-Butyl 3-((3-iodo-6-(pyrrolidin-1-yl)pyridin-2-yloxy)methyl)pyrrolidine-1-carboxylate tert-Butyl 3-((3-iodo-6-(pyrroli…

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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) 4.54 9.26 -10.54 0 6 0 55 473.355 6 ↓

Analogs

39961333
39961333

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Popular Name: tert-Butyl 3-((3-iodo-6-(pyrrolidin-1-yl)pyridin-2-yloxy)methyl)pyrrolidine-1-carboxylate tert-Butyl 3-((3-iodo-6-(pyrroli…

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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) 4.54 9.26 -10.33 0 6 0 55 473.355 6 ↓

Analogs

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Popular Name: (Z)-5-(Benzyloxy)-6-bromopicolinaldehyde oxime (Z)-5-(Benzyloxy)-6-bromopicolin…

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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) 3.94 4.87 -13.61 1 4 0 55 307.147 4 ↓
Ref Reference (pH 7) 3.94 4.34 -12.57 1 4 0 55 307.147 4 ↓

Analogs

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Popular Name: 3-(Benzyloxy)-2-bromo-6-iodopyridine 3-(Benzyloxy)-2-bromo-6-iodopyri…

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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) 4.88 7.5 -6.77 0 2 0 22 390.018 3 ↓

Analogs

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Popular Name: 3-iodo-2-methoxy-6-(pyrrolidin-1-yl)pyridine 3-iodo-2-methoxy-6-(pyrrolidin-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) 2.98 5.16 -5.21 0 3 0 25 304.131 2 ↓

Analogs

39961327
39961327

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Popular Name: (1-(6-fluoropyridin-2-yl)pyrrolidin-3-yl)methanol (1-(6-fluoropyridin-2-yl)pyrroli…

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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 2.73 -8.47 1 3 0 36 196.225 2 ↓
Lo Low (pH 4.5-6) 1.52 3.1 -27.37 2 3 1 38 197.233 2 ↓

Analogs

39961328
39961328

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Popular Name: (1-(6-fluoropyridin-2-yl)pyrrolidin-3-yl)methanol (1-(6-fluoropyridin-2-yl)pyrroli…

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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 2.71 -8.91 1 3 0 36 196.225 2 ↓
Lo Low (pH 4.5-6) 1.52 3.17 -27.36 2 3 1 38 197.233 2 ↓

Analogs

34950910
34950910
36372661
36372661

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Popular Name: 1-Boc-3-Formylazetidine 1-Boc-3-Formylazetidine

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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) 1.43 3.67 -9.32 0 4 0 47 185.223 3 ↓

Analogs

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Popular Name: tert-Butyl 4-chloro-2-(3-hydroxyprop-1-ynyl)-pyridin-3-yl carbonate tert-Butyl 4-chloro-2-(3-hydroxy…

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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) 2.37 4.9 -13.95 1 5 0 69 283.711 4 ↓

Analogs

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Popular Name: tert-Butyl 2-fluoro-6-(pyrrolidin-1-yl)pyridin-3-ylcarbamate tert-Butyl 2-fluoro-6-(pyrrolidi…

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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) 2.89 5.71 -6.79 1 5 0 54 281.331 4 ↓

Analogs

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Popular Name: (trans racemic)-1-tert-butyl 3-methyl 4-(2-fluoro-6-(pyrrolidin-1-yl)pyridin-3-yl)pyrrolidine-1,3-dicarboxylate (trans racemic)-1-tert-butyl 3-m…

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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) 3.13 9.58 -14.23 0 7 0 72 393.459 6 ↓
Lo Low (pH 4.5-6) 3.13 10.03 -32.45 1 7 1 73 394.467 6 ↓

Analogs

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Popular Name: 2-Fluoro-N-methoxy-N-methyl-6-(pyrrolidin-1-yl)-nicotinamide 2-Fluoro-N-methoxy-N-methyl-6-(p…

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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) 1.40 5.5 -12.13 0 5 0 46 253.277 3 ↓

Analogs

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Popular Name: Methyl 2-fluoro-6-(pyrrolidin-1-yl)nicotinate Methyl 2-fluoro-6-(pyrrolidin-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) 1.83 6.05 -11.23 0 4 0 42 224.235 3 ↓

Analogs

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Popular Name: 9H-thioxanthene-3,6-diamine 10,10-dioxide 9H-thioxanthene-3,6-diamine 10,1…

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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) 0.98 -7.26 -15.33 4 4 0 86 260.318 0 ↓

Analogs

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Popular Name: Ethyl 1-benzhydrylazetidine-3-carboxylate Ethyl 1-benzhydrylazetidine-3-ca…

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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) 3.99 9.9 -5.64 0 3 0 30 295.382 6 ↓

Analogs

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Popular Name: 6-Chloro-1H-pyrazolo[4,3-c]pyridine 6-Chloro-1H-pyrazolo[4,3-c]pyridine

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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 1.87 -6.31 1 3 0 42 153.572 0 ↓

Analogs

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Popular Name: 2-bromopyrimidine-5-carbonitrile 2-bromopyrimidine-5-carbonitrile

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.71 2.78 -5.59 0 3 0 50 183.996 0 ↓

Analogs

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Popular Name: TERT-BUTYL 2-((METHOXYCARBONYL)METHYL) MORPHOLINE-4-CARBOXYLATE TERT-BUTYL 2-((METHOXYCARBONYL)M…

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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) 1.03 5.18 -10.22 0 6 0 65 259.302 5 ↓

Analogs

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Popular Name: TERT-BUTYL 2-((METHOXYCARBONYL)METHYL) MORPHOLINE-4-CARBOXYLATE TERT-BUTYL 2-((METHOXYCARBONYL)M…

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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) 1.03 5.15 -10.22 0 6 0 65 259.302 5 ↓

Analogs

38530151
38530151

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Popular Name: N-Boc-2-(2-Hydroxyethyl)morpholine N-Boc-2-(2-Hydroxyethyl)morpholine

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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) 0.85 1.35 -7.24 1 5 0 59 231.292 4 ↓

Analogs

39952164
39952164

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Popular Name: Benzyl 3-(hydroxymethyl)azetidine-1-carboxylate Benzyl 3-(hydroxymethyl)azetidin…

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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 3.02 -10.59 1 4 0 50 221.256 4 ↓

Analogs

38530152
38530152
36155482
36155482

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Popular Name: N-Boc-2-(2-Hydroxyethyl)morpholine N-Boc-2-(2-Hydroxyethyl)morpholine

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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) 0.85 1.32 -7.22 1 5 0 59 231.292 4 ↓

Analogs

38530153
38530153

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Popular Name: N-Boc-2-(2-Oxoethyl)morpholine N-Boc-2-(2-Oxoethyl)morpholine

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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) 1.30 3.73 -9.92 0 5 0 56 229.276 4 ↓

Analogs

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Popular Name: N-Benzyl-3-cyanoazetidine N-Benzyl-3-cyanoazetidine

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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 4.14 -9.77 0 2 0 27 172.231 2 ↓

Analogs

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Popular Name: 1-methyl-3-azetidinone 1-methyl-3-azetidinone

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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) -0.63 -1.47 -4.49 0 2 0 20 85.106 0 ↓
Mid Mid (pH 6-8) -0.63 1.96 -40.59 1 2 1 22 86.114 0 ↓

Analogs

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Popular Name: 2-Fluoro-5-bromobenzyl bromide 2-Fluoro-5-bromobenzyl bromide

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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) 3.54 6.53 -2.47 0 0 0 0 267.923 1 ↓

Analogs

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Popular Name: 2-Methyl-7-phenyl-1H-indene 2-Methyl-7-phenyl-1H-indene

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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) 4.77 10.49 -4.09 0 0 0 0 206.288 1 ↓

Analogs

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Popular Name: (2-Bromo-3-fluorophenyl)methanol (2-Bromo-3-fluorophenyl)methanol

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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) 2.15 2.61 -4.39 1 1 0 20 205.026 1 ↓

Analogs

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Popular Name: 3-Bromothietane 1,1-dioxide 3-Bromothietane 1,1-dioxide

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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 -4.43 -9.88 0 2 0 34 185.042 0 ↓

Analogs

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Popular Name: 2-Chloro-4-fluoroiodobenzene 2-Chloro-4-fluoroiodobenzene

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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) 3.79 1 -1.82 0 0 0 0 256.445 0 ↓

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page.format = targets
page.num = 1
catalog.name = chemmol
filter.purchasability = purchasable

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SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1 AND c.short_name LIKE 'chemmol' AND ci.sub_id_fk IN (SELECT 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  WHERE c.free = 1 AND c.purchasable IN (1,2,4,5)   )    LIMIT 50

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