UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2585953
2585953

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Popular Name: (S)-4-(((Benzyloxy)carbonyl)amino)-5-isopropoxy-5-oxopentanoic acid (S)-4-(((Benzyloxy)carbonyl)amin…

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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) 3.72 7.73 -48.96 1 7 -1 105 322.337 10 ↓

Analogs

34645834
34645834
34645835
34645835

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Popular Name: (S)-isopropyl 2-(benzyloxycarbonylamino)-5-hydroxypentanoate (S)-isopropyl 2-(benzyloxycarbon…

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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) 3.84 4.46 -9.25 2 6 0 85 309.362 10 ↓

Analogs

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Popular Name: 1-(4-(Benzyloxy)-6-hydroxy-2,3-dimethoxyphenyl)ethanone 1-(4-(Benzyloxy)-6-hydroxy-2,3-d…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.18 6.82 -12.89 1 5 0 65 302.326 6 ↓
Hi High (pH 8-9.5) 3.18 6.29 -46.14 0 5 -1 68 301.318 6 ↓

Analogs

43447111
43447111
43447112
43447112
43447676
43447676
43447677
43447677
43447680
43447680

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Popular Name: Ethyl 2-(4-chlorophenylsulfinyl)acetate Ethyl 2-(4-chlorophenylsulfinyl)…

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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 5.44 -15.16 0 3 0 43 246.715 5 ↓

Analogs

43447111
43447111
43447112
43447112
43447676
43447676
43447677
43447677
43447680
43447680

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Popular Name: Ethyl 2-(4-chlorophenylsulfinyl)acetate Ethyl 2-(4-chlorophenylsulfinyl)…

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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 5.44 -15.16 0 3 0 43 246.715 5 ↓

Analogs

34528931
34528931

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Popular Name: 4-Bromoisoindole-1,3-dione 4-Bromoisoindole-1,3-dione

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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) 1.91 1.96 -8.23 1 3 0 50 226.029 0 ↓
Hi High (pH 8-9.5) 2.36 -0.63 -44.37 0 3 -1 53 225.021 0 ↓

Analogs

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Popular Name: Tert-butyl 4-bromoisoindoline-2-carboxylate Tert-butyl 4-bromoisoindoline-2-…

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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) 3.12 7.42 -6.86 0 3 0 30 298.18 2 ↓

Analogs

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Popular Name: (S)-tert-Butyl 2-(((benzyloxy)carbonyl)amino)-5-((methylsulfonyl)oxy)pentanoate (S)-tert-Butyl 2-(((benzyloxy)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) 4.28 6.4 -20.85 1 8 0 108 401.481 12 ↓

Analogs

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Popular Name: (S)-Isopropyl 2-(((benzyloxy)carbonyl)amino)-5-((methylsulfonyl)oxy)pentanoate (S)-Isopropyl 2-(((benzyloxy)car…

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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) 3.83 6 -21.63 1 8 0 108 387.454 12 ↓

Analogs

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Popular Name: Triclabendazole Triclabendazole

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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) 5.94 8.77 -7.56 1 3 0 38 359.665 3 ↓
Ref Reference (pH 7) 5.94 8.77 -7.17 1 3 0 38 359.665 3 ↓

Analogs

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Popular Name: (R)-((2-(Bromomethyl)-3-methylbutoxy)methyl)benzene (R)-((2-(Bromomethyl)-3-methylbu…

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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) 5.25 8.45 -3.36 0 1 0 9 271.198 6 ↓

Analogs

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Popular Name: (2R,5R)-5-Hydroxy-1,3-oxathiolane-2-carboxylic acid (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester (2R,5R)-5-Hydroxy-1,3-oxathiolan…

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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) 3.52 6.29 -7.13 1 4 0 56 288.409 4 ↓

Analogs

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Popular Name: 5-HYDROXY-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER 5-HYDROXY-1-METHYL-1H-PYRAZOLE-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) -0.43 1.59 -6.99 0 5 0 59 156.141 2 ↓
Ref Reference (pH 7) -0.10 1.44 -9.52 1 5 0 64 156.141 2 ↓
Mid Mid (pH 6-8) 0.36 -0.62 -11.17 1 5 0 64 156.141 2 ↓

Analogs

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Popular Name: HEPPSO HEPPSO

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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) -3.96 -7.39 -43.74 2 7 -1 104 267.327 6 ↓
Mid Mid (pH 6-8) -3.96 -5.03 -50.52 3 7 0 105 268.335 6 ↓
Mid Mid (pH 6-8) -3.96 -4.99 -58.23 3 7 0 105 268.335 6 ↓

Analogs

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Popular Name: HEPPSO HEPPSO

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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) -3.96 -7.92 -43.99 2 7 -1 104 267.327 6 ↓
Mid Mid (pH 6-8) -3.96 -5.49 -51.09 3 7 0 105 268.335 6 ↓
Mid Mid (pH 6-8) -3.96 -5.52 -57.94 3 7 0 105 268.335 6 ↓

Analogs

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Popular Name: 2'-O-(2-Methoxyethyl)-uridine 2'-O-(2-Methoxyethyl)-uridine

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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 -5.08 -20.81 3 9 0 123 302.283 6 ↓

Analogs

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Popular Name: 5-Methyl-2'-methoxyethoxycytosine 5-Methyl-2'-methoxyethoxycytosine

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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) -4.34 -1.71 -26.03 6 9 1 137 315.35 6 ↓

Analogs

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Popular Name: 2-Thiothymidine 2-Thiothymidine

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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) -1.09 -2.49 -23.48 3 6 0 87 258.299 2 ↓

Analogs

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Popular Name: 2-Thiothymidine 2-Thiothymidine

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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) -1.09 -2.4 -11.36 3 6 0 87 258.299 2 ↓

Analogs

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Popular Name: 2-Thiothymidine 2-Thiothymidine

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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) -1.09 -2.29 -18.23 3 6 0 87 258.299 2 ↓

Analogs

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Popular Name: 2-Thiothymidine 2-Thiothymidine

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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) -1.09 -2.17 -10.13 3 6 0 87 258.299 2 ↓

Analogs

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Popular Name: 2'-Azido-2'-deoxyuridine 2'-Azido-2'-deoxyuridine

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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) -1.33 -6.74 -19.02 3 10 0 154 283.244 4 ↓

Analogs

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Popular Name: 2'-Azido-2'-deoxy-5-methyluridine 2'-Azido-2'-deoxy-5-methyluridine

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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 -6.07 -18.3 3 10 0 154 297.271 4 ↓

Analogs

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Popular Name: 8-Bromoadenosine 8-Bromoadenosine

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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) -0.74 -5.59 -118.66 8 9 2 141 350.173 2 ↓
Mid Mid (pH 6-8) -0.74 -5.9 -43.81 7 9 1 140 349.165 2 ↓

Analogs

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Popular Name: 8-Bromoadenosine 8-Bromoadenosine

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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) -0.74 -5.6 -119.14 8 9 2 141 350.173 2 ↓
Mid Mid (pH 6-8) -0.74 -5.89 -41.36 7 9 1 140 349.165 2 ↓

Analogs

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Popular Name: 8-Azidoadenosine 8-Azidoadenosine

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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 -6.41 -120.27 8 12 2 191 312.29 3 ↓
Mid Mid (pH 6-8) -0.50 -6.72 -44.62 7 12 1 190 311.282 3 ↓

Analogs

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Popular Name: 8-Azidoadenosine 8-Azidoadenosine

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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 -6.4 -120.77 8 12 2 191 312.29 3 ↓
Mid Mid (pH 6-8) -0.50 -6.7 -42.16 7 12 1 190 311.282 3 ↓

Analogs

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Popular Name: 5'-Chloro-5'-deoxyadenosine 5'-Chloro-5'-deoxyadenosine

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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) -0.64 -1.54 -112.96 7 8 2 121 289.723 2 ↓
Mid Mid (pH 6-8) -0.64 -1.86 -40.78 6 8 1 120 288.715 2 ↓

Analogs

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Popular Name: 5'-Chloro-5'-deoxyadenosine 5'-Chloro-5'-deoxyadenosine

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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) -0.64 -1.54 -113.81 7 8 2 121 289.723 2 ↓
Mid Mid (pH 6-8) -0.64 -1.86 -38.17 6 8 1 120 288.715 2 ↓

Analogs

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Popular Name: Ethyl 2-(quinolin-6-yl)acetate Ethyl 2-(quinolin-6-yl)acetate

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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) 2.34 7.22 -10.73 0 3 0 39 215.252 4 ↓

Analogs

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Popular Name: Ethyl 2-(quinolin-6-yl)propanoate Ethyl 2-(quinolin-6-yl)propanoate

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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) 2.50 7.71 -10.21 0 3 0 39 229.279 4 ↓

Analogs

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Popular Name: Ethyl 2-(quinolin-6-yl)propanoate Ethyl 2-(quinolin-6-yl)propanoate

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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) 2.50 7.7 -10.18 0 3 0 39 229.279 4 ↓

Analogs

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Popular Name: 2-(3-Bromoquinolin-6-yl)acetic acid 2-(3-Bromoquinolin-6-yl)acetic acid

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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) 2.30 6.8 -43.23 0 3 -1 53 265.086 2 ↓

Analogs

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Popular Name: 3-Iodo-4-(methylthio)pyridin-2-amine 3-Iodo-4-(methylthio)pyridin-2-a…

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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) 1.92 3.58 -4.86 2 2 0 39 266.107 1 ↓

Analogs

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Popular Name: tert-Butyl (3-iodo-4-(methylthio)pyridin-2-yl)carbamate tert-Butyl (3-iodo-4-(methylthio…

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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) 3.33 6.56 -8.12 1 4 0 51 366.224 4 ↓
Hi High (pH 8-9.5) 2.96 6.97 -43.85 0 4 -1 58 365.216 4 ↓

Analogs

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Popular Name: tert-Butyl (4-(methylthio)pyridin-2-yl)carbamate tert-Butyl (4-(methylthio)pyridi…

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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) 2.32 5.44 -8.82 1 4 0 51 240.328 4 ↓

Analogs

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Popular Name: 4-Bromo-5-methyl-2-nitroaniline 4-Bromo-5-methyl-2-nitroaniline

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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 4.46 -5.9 2 4 0 72 231.049 1 ↓

Analogs

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Popular Name: 6-Methyl-5-oxo-4,5-dihydropyrazine-2-carboxylic acid 6-Methyl-5-oxo-4,5-dihydropyrazi…

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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) -0.29 0.82 -45 1 5 -1 86 153.117 1 ↓

Analogs

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Popular Name: N-(2-Cyano-4-oxo-4H-chromen-8-yl)-4-(4-phenylbutoxy)benzamide N-(2-Cyano-4-oxo-4H-chromen-8-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) 5.30 12.84 -10.74 1 6 0 92 438.483 8 ↓

Analogs

355488
355488

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Popular Name: Revatropate Revatropate

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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) 1.13 6.57 -56.84 2 5 1 68 366.503 8 ↓

Analogs

355488
355488

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Popular Name: Revatropate Revatropate

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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) 1.13 6.57 -47.05 2 5 1 68 366.503 8 ↓

Analogs

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Popular Name: Revatropate Revatropate

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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) 1.13 6.55 -50.08 2 5 1 68 366.503 8 ↓

Analogs

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Popular Name: Revatropate Revatropate

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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) 1.13 6.54 -52.63 2 5 1 68 366.503 8 ↓

Analogs

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Popular Name: Latanoprost acid Latanoprost acid

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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) 3.43 7.03 -50.25 3 5 -1 101 389.512 12 ↓
Lo Low (pH 4.5-6) 3.43 5.05 -10.45 4 5 0 98 390.52 12 ↓

Analogs

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Popular Name: (3aR,4R,5R,6aS)-5-Hydroxy-4-((S,E)-3-hydroxy-5-phenylpent-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-2-one (3aR,4R,5R,6aS)-5-Hydroxy-4-((S,…

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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) 0.83 5.22 -10.3 2 4 0 67 302.37 5 ↓

Analogs

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Popular Name: (+)-(3aR,4R,5r,6aS)-Hexahydro-5-hydroxy-4-[(1E,3R)-3-hydroxy-5-phenyl-1-pentenyl]-2H-cyclopenta[b]furan-2-one (+)-(3aR,4R,5r,6aS)-Hexahydro-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) 0.83 5.22 -10.65 2 4 0 67 302.37 5 ↓

Analogs

30691625
30691625

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Popular Name: Etiproston Etiproston

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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) 2.81 7.1 -51.29 2 7 -1 108 431.505 11 ↓
Lo Low (pH 4.5-6) 2.81 5.12 -14.96 3 7 0 105 432.513 11 ↓

Analogs

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Popular Name: (5Z)-N-(Cyclopropylmethyl)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxy-4-phenoxy-1-buten-1-yl]cyclopentyl]-5-heptenamide (5Z)-N-(Cyclopropylmethyl)-7-[(1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.02 4.7 -16.56 4 6 0 99 443.584 13 ↓

Analogs

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Popular Name: AG 014699 AG 014699

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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) 2.62 6.3 -51.69 4 4 1 61 324.379 3 ↓
Hi High (pH 8-9.5) 2.62 4.85 -9.02 3 4 0 57 323.371 3 ↓

Analogs

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Popular Name: 2-Deoxy-alpha-D-erythropentofuranose 1-acetate 3,5-bis(4-chlorobenzoate) 2-Deoxy-alpha-D-erythropentofura…

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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) 5.40 13.2 -12.02 0 7 0 88 453.274 9 ↓

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