UCSF

Default (Public by okorhone) Default Purchasability Report

ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

308379
308379

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Popular Name: toin toin

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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) 2.00 5.87 -8.2 1 3 0 32 212.318 4 ↓

Analogs

4095934
4095934

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Popular Name: Albendazole oxide Albendazole oxide

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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 3.06 -23.33 2 6 0 87 281.337 4 ↓

Analogs

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Popular Name: 2-(4-Allyl-2-methoxyphenoxy)-N,N-diethylacetamide; 2-Methoxy-4-allylphenoxyaceticic acid-N,N-diethylamide; 2-Methoxy-4-allylphenoxyessigsaeure-N,N-diaethylamid [German]; Acetamide, 2-(4-allyl-2-methoxyphenoxy)-N,N-diethyl-; Acetamidoeugenol; BRN 2472368 2-(4-Allyl-2-methoxyphenoxy)-N,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) 2.51 9 -14.93 0 4 0 39 277.364 8 ↓

Analogs

1841718
1841718

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Popular Name: Acifran Acifran

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.42 5.57 -41.98 0 4 -1 66 217.2 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: prim prim

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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) 1.44 -3.82 -11.37 4 7 0 99 303.366 5 ↓
Mid Mid (pH 6-8) 1.44 -3.62 -38.89 5 7 1 100 304.374 5 ↓
Mid Mid (pH 6-8) 1.44 -3.63 -39.25 5 7 1 100 304.374 5 ↓

Analogs

4611316
4611316

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Popular Name: Adrafinil Adrafinil

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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 4.89 -24.55 2 4 0 66 289.356 5 ↓
Hi High (pH 8-9.5) 1.28 5.63 -61.69 1 4 -1 69 288.348 5 ↓

Analogs

8101172
8101172
8101173
8101173
8214788
8214788
8220548
8220548

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Popular Name: 6989-79-3; C09217; Isoajmaline 6989-79-3; C09217; Isoajmaline

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.56 1.66 -6.73 2 4 0 47 326.44 1 ↓
Mid Mid (pH 6-8) 2.56 4.33 -34.99 3 4 1 48 327.448 1 ↓

Analogs

1758974
1758974

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Popular Name: 3374-04-7; C15311; N,N-Bis(2-chloroethyl)-DL-alanine hydrochloride 3374-04-7; C15311; N,N-Bis(2-chl…

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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) -0.33 5.56 -38.38 1 3 0 45 214.092 6 ↓

Analogs

2013499
2013499
5459478
5459478
27877188
27877188

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Popular Name: Allylprodine Allylprodine

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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) 3.85 4.02 -40.52 1 3 1 30 288.411 6 ↓

Analogs

1999253
1999253

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Popular Name: Alminoprofen Alminoprofen

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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) 3.21 0.47 -48.57 1 3 -1 52 218.276 5 ↓

Analogs

86599
86599

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Popular Name: Alprenolol Alprenolol

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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) 2.58 5.16 -40.25 3 3 1 46 250.362 8 ↓
Hi High (pH 8-9.5) 2.58 3.88 -5.22 2 3 0 41 249.354 8 ↓

Analogs

517126
517126
1574727
1574727
3873173
3873173
3873175
3873175
3881372
3881372

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Popular Name: Lycorine hydrochloride Lycorine hydrochloride

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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) 0.54 0.89 -42.24 3 5 1 63 288.323 0 ↓
Mid Mid (pH 6-8) 0.54 -1.82 -8.16 2 5 0 62 287.315 0 ↓

Analogs

26892695
26892695
26892701
26892701
26892706
26892706
26892708
26892708

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Popular Name: 2-(1-methyl-2-phenyl-ethyl)amino-2-phenyl-acetonitrile 2-(1-methyl-2-phenyl-ethyl)amino…

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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) 3.60 2.4 -41.56 2 2 1 40 251.353 5 ↓

Analogs

16090786
16090786

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Popular Name: LS-47809 LS-47809

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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) 0.60 -1.91 -46.13 3 4 0 71 319.232 9 ↓

Analogs

4211922
4211922

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Popular Name: 2,3-Dihydro-6-amino-2-(2-chloroethyl)-4H-1,3-benzoxazin-4-one; 2-(beta-Chloroethyl)-2,3-dihydro-4-oxo-6-amino-1,3-benzoxazine; 2H-1,3-Benzoxazin-4(3H)-one, 6-amino-2-(2-chloroethyl)-; 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-amino-2-(2-chloroethyl)-; 4H-1,3 2,3-Dihydro-6-amino-2-(2-chloroe…

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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) 1.45 -4.5 -10.37 3 4 0 64 226.663 2 ↓

Analogs

2020048
2020048

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Popular Name: AMINOPENTAMIDE SULFATE AMINOPENTAMIDE SULFATE

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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) 2.94 0.89 -37.97 3 3 1 47 297.422 6 ↓
Hi High (pH 8-9.5) 0.89 2.55 -38.03 3 1 1 28 110.18 0 ↓

Analogs

5211994
5211994

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Popular Name: Aminopropylon Aminopropylon

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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) 0.86 1.34 -47.14 2 6 1 60 303.386 4 ↓

Analogs

539
539
2003344
2003344
2003345
2003345
2003346
2003346

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Popular Name: terol terol

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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 -3.78 -36.44 5 3 1 62 209.313 5 ↓

Analogs

1842933
1842933

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Popular Name: INN INN

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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 1.56 -33.37 1 2 1 13 262.417 7 ↓

Analogs

164392
164392

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Popular Name: (S)-(+)-Mandelic acid (S)-(+)-Mandelic 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) 0.37 3.51 -45.3 1 3 -1 60 151.141 2 ↓

Analogs

2034893
2034893

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Popular Name: Amylocaine Hydrochloride Amylocaine Hydrochloride

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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) 3.45 8.97 -38.55 1 3 1 31 236.335 6 ↓

Analogs

5353020
5353020

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Popular Name: olol olol

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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 -2.45 -46.93 4 6 1 88 333.408 8 ↓

Analogs

33528
33528
354287
354287
1027073
1027073
1049954
1049954
1460525
1460525

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Popular Name: trimethylBLAHol trimethylBLAHol

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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) 4.53 0.89 -5.58 1 3 0 46 329.484 0 ↓

Analogs

4211963
4211963
11616956
11616956
11616957
11616957

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Popular Name: 786-723 786-723

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.38 0.08 -40.41 3 3 1 39 311.449 4 ↓

Analogs

1844865
1844865

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Popular Name: RS-37326 RS-37326

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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) 2.26 0.86 -47.56 0 5 -1 71 284.291 4 ↓

Analogs

1559439
1559439

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Popular Name: R-8193 R-8193

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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) 3.29 -1.57 -7.36 0 2 0 17 202.282 1 ↓

Analogs

5138895
5138895

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Popular Name: 2,3-Dimercaptopropyl-p-tolylsulfide; Antarsin; BRN 1949215; LS-147928; Mecaptid; Sulfide, 2,3-dimercaptopropyl p-tolyl 2,3-Dimercaptopropyl-p-tolylsulf…

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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) 3.45 -0.45 -4.51 0 0 0 0 230.423 4 ↓
Hi High (pH 8-9.5) 3.45 -1.41 -40.76 0 0 -1 0 229.415 4 ↓
Hi High (pH 8-9.5) 3.45 -1.41 -41.83 0 0 -1 0 229.415 4 ↓

Analogs

57585
57585
5998580
5998580
14680042
14680042

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Popular Name: apiole apiole

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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 3.78 -8.68 0 4 0 37 222.24 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: CGS-7525A CGS-7525A

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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) 2.52 -0.2 -40.49 1 3 1 12 254.357 0 ↓

Analogs

66314
66314
66315
66315
1999274
1999274

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Popular Name: DCF DCF

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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 7.48 -35.28 2 3 1 34 233.335 3 ↓

Analogs

2383163
2383163
2506675
2506675
2584240
2584240
3606156
3606156
6018930
6018930

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Popular Name: Aristolochic acid Aristolochic 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) 3.57 9.35 -66.96 0 8 -1 114 340.267 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Aspirin Aspirin

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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 6.59 -56.84 0 4 -1 66 179.151 3 ↓

Analogs

28101468
28101468

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Popular Name: 2-[4-(3-thienyl)phenyl]propanoic 2-[4-(3-thienyl)phenyl]propanoic

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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 1.25 -48.65 0 2 -1 40 231.296 3 ↓

Analogs

56
56
57173
57173
526108
526108
2146111
2146111
12358661
12358661

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Popular Name: INN) INN)

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.56 0.37 -40.97 2 4 1 50 304.41 5 ↓

Analogs

12466871
12466871
12466998
12466998
12503096
12503096
16036549
16036549
44135881
44135881

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Popular Name: Hyoscyamine Hyoscyamine

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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) 1.77 -0.01 -37.55 2 4 1 50 290.383 5 ↓

Analogs

394477
394477
12672106
12672106

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Popular Name: trop- trop-

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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) 0.47 -0.19 -16.77 1 5 0 63 305.374 5 ↓

Analogs

85733
85733

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Popular Name: Baclofen Baclofen

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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) -0.42 4.81 -48.33 3 3 0 68 213.664 4 ↓

Analogs

2007481
2007481

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Popular Name: Befunolol hydrochloride Befunolol hydrochloride

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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) 2.22 -1.86 -47.62 3 5 1 76 292.355 7 ↓

Analogs

4433
4433
11655
11655
11677542
11677542
33995813
33995813

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Popular Name: dimethylBLAHol dimethylBLAHol

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.38 0.14 -42.51 2 3 1 33 296.39 0 ↓

Analogs

525467
525467
525925
525925
2019937
2019937
2019938
2019938
2115536
2115536

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Popular Name: Benaxibine Benaxibine

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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) -0.19 -4.3 -54.21 4 7 -1 122 268.245 3 ↓

Analogs

1999295
1999295

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Popular Name: INN INN

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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) 2.85 6.89 -9.89 2 3 0 41 240.306 4 ↓

Analogs

1872015
1872015
33420303
33420303

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Popular Name: Benoxaprofen Benoxaprofen

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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) 4.53 -0.61 -46.43 0 4 -1 66 300.721 3 ↓

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Popular Name: Benzarone Benzarone

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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 0.72 -9.64 1 3 0 50 266.296 3 ↓

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5438128
5438128

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Popular Name: PLIFENATE PLIFENATE

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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) 5.10 1.55 -4.97 0 2 0 26 336.429 4 ↓

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6096699
6096699

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Popular Name: Benzidol Benzidol

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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) 2.19 -5.31 -12.11 2 5 0 67 298.342 6 ↓

Analogs

135987
135987
135989
135989
135992
135992
548099
548099
548101
548101

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Popular Name: Benzoclidine Benzoclidine

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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) 2.76 8.72 -36.25 1 3 1 31 232.303 3 ↓

Analogs

56684
56684
56685
56685
236100
236100
393162
393162
393403
393403

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Popular Name: Benzoin Benzoin

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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) 2.27 6.57 -8.15 1 2 0 37 212.248 3 ↓

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1843001
1843001
2019505
2019505
2019507
2019507

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Popular Name: ium ium

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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) -1.66 2.85 -35.63 1 4 1 46 326.416 5 ↓

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396186
396186

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Popular Name: Benzyl dl-mandelate Benzyl dl-mandelate

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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) 2.58 7.58 -6.66 1 3 0 47 242.274 5 ↓

Analogs

338236
338236
389665
389665
1638183
1638183
2048952
2048952
3871709
3871709

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Popular Name: (2S,3R,4S,4aR,10bR)-3,4,8,10-tetrahydroxy-9-methoxy-2-methylol-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c (2S,3R,4S,4aR,10bR)-3,4,8,10-tet…

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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) -0.90 -7.1 -12.49 5 9 0 146 328.273 2 ↓