UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: Beta-Carboline-1-propanoic acid Beta-Carboline-1-propanoic 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) 2.31 6.07 -50.92 1 4 -1 69 239.254 3 ↓
Lo Low (pH 4.5-6) 2.31 6.33 -52.54 2 4 0 70 240.262 3 ↓

Analogs

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Popular Name: (E)-1-(4-hydroxy-3-methoxy-phenyl)dec-1-en-3-one (E)-1-(4-hydroxy-3-methoxy-pheny…

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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) 4.63 8.18 -9.28 1 3 0 47 276.376 9 ↓

Analogs

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Popular Name: Usnic acid Usnic 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
Mid Mid (pH 6-8) 1.59 5.79 -89.07 1 7 -2 127 342.303 2 ↓
Lo Low (pH 4.5-6) 1.01 4.25 -18.97 2 7 0 118 344.319 2 ↓

Analogs

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Popular Name: Physostigmine Physostigmine

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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

Analogs

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Popular Name: HYPERFORIN HYPERFORIN

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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
Mid Mid (pH 6-8) 7.90 18.51 -6.65 0 4 0 68 536.797 11 ↓

Analogs

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Popular Name: HARMALINE HARMALINE

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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) 2.68 3.61 -6.89 1 3 0 37 214.268 1 ↓
Lo Low (pH 4.5-6) 2.51 4.94 -100.78 3 3 2 40 216.284 1 ↓

Analogs

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Popular Name: Cabraleadiol Cabraleadiol

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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) 6.75 9.24 -3.9 2 3 0 50 460.743 2 ↓

Analogs

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Popular Name: Hemslecin A Hemslecin 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) 3.04 4.37 -14.47 4 8 0 141 562.744 7 ↓

Analogs

43510171
43510171
43510173
43510173

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Popular Name: BRD-A53907549-001-01-5 BRD-A53907549-001-01-5

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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) 2.51 5.68 -47.73 1 3 -1 60 249.33 2 ↓
Lo Low (pH 4.5-6) 2.51 3.87 -6.61 2 3 0 58 250.338 2 ↓

Analogs

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Popular Name: 3-Oxours-12-en-28-oic acid 3-Oxours-12-en-28-oic 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) 6.60 13.52 -55.8 0 3 -1 57 453.687 1 ↓

Analogs

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Popular Name: tubulosine tubulosine

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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) 4.86 -2.44 -131.58 5 6 2 75 477.649 5 ↓

Analogs

39293733
39293733
39293735
39293735

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Popular Name: 6-HYDROXY-2,5,7,8-TETRAMETHYLCHROMAN-2-CARBOXYLIC ACID 6-HYDROXY-2,5,7,8-TETRAMETHYLCHR…

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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) 3.07 5.98 -50.1 1 4 -1 70 249.286 1 ↓

Analogs

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Popular Name: Tricyclene Tricyclene

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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 6.73 -0.49 0 0 0 0 136.238 0 ↓

Analogs

1530690
1530690
1849472
1849472
8602413
8602413
13319948
13319948
44699472
44699472

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Popular Name: Tamoxifen citrate Tamoxifen citrate

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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) 6.06 15.81 -35.9 1 2 1 14 372.532 8 ↓
Hi High (pH 8-9.5) 6.06 13.36 -4.97 0 2 0 12 371.524 8 ↓

Analogs

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Popular Name: Butyric acid Butyric 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) 1.00 3.61 -43.26 0 2 -1 40 87.098 2 ↓

Analogs

39296029
39296029
39261896
39261896

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Popular Name: Piroxicam Piroxicam

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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) 2.06 3.62 -52.26 1 7 -1 102 330.345 2 ↓
Mid Mid (pH 6-8) 0.48 4.62 -20.35 1 7 0 96 331.353 2 ↓

Analogs

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Popular Name: 3-oxo-olean-12-en-28-oic acid 3-oxo-olean-12-en-28-oic 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) 6.54 14.58 -52.43 0 3 -1 57 453.687 1 ↓
Lo Low (pH 4.5-6) 6.54 12.61 -7.5 1 3 0 54 454.695 1 ↓

Analogs

1661
1661

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Popular Name: Melphalan Melphalan

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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) 0.08 6.61 -40.9 3 4 0 71 305.205 8 ↓

Analogs

4104785
4104785
5529951
5529951
5912487
5912487
6556209
6556209
519249
519249

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Popular Name: Ilicic acid Ilicic 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) 2.88 5.81 -48.73 1 3 -1 60 251.346 2 ↓
Lo Low (pH 4.5-6) 2.88 4.01 -6.26 2 3 0 58 252.354 2 ↓

Analogs

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Popular Name: FUMARPROTOCETRARIC ACID FUMARPROTOCETRARIC 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) 2.24 8.42 -97.27 2 12 -2 207 470.342 7 ↓

Analogs

5850156
5850156
5850183
5850183
6424763
6424763
19144226
19144226
19144231
19144231

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Popular Name: Chloroquine diphosphate Chloroquine diphosphate

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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) 5.01 10.55 -81.48 3 3 2 31 321.896 8 ↓

Analogs

3919243
3919243
3947475
3947475
3947476
3947476
4096248
4096248
4102407
4102407

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Popular Name: CHLOROGENIC ACID CHLOROGENIC 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) -0.45 -1.23 -55.09 5 9 -1 168 353.303 5 ↓

Analogs

33737268
33737268

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Popular Name: Chicoric acid Chicoric 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) 1.27 4.82 -135.41 4 12 -2 214 472.358 11 ↓

Analogs

8762249
8762249
8762252
8762252
8835967
8835967
8835968
8835968
8952537
8952537

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Popular Name: Betulonic acid Betulonic 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) 6.86 14.43 -48.14 0 3 -1 57 453.687 2 ↓
Lo Low (pH 4.5-6) 6.86 12.66 -7.5 1 3 0 54 454.695 2 ↓

Analogs

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Popular Name: vitamin c vitamin c

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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) -4.12 -5.47 -13.37 2 6 0 107 175.116 2 ↓
Hi High (pH 8-9.5) -4.12 -4.62 -15.59 2 6 0 107 175.116 2 ↓
Hi High (pH 8-9.5) -0.93 -8.02 -141.02 3 6 -2 120 174.108 2 ↓

Analogs

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Popular Name: caffeoylshikimate caffeoylshikimate

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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 0.07 -59.43 4 8 -1 147 335.288 5 ↓

Analogs

14824781
14824781

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Popular Name: tylophorine tylophorine

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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) 3.64 1.93 -48.68 1 5 1 41 394.491 4 ↓

Analogs

4962948
4962948
4962950
4962950
4962952
4962952
13831583
13831583
13831584
13831584

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Popular Name: ISOPIMARIC ACID ISOPIMARIC 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) 4.96 11.41 -51.43 0 2 -1 40 301.45 2 ↓
Lo Low (pH 4.5-6) 4.96 9.4 -5.38 1 2 0 37 302.458 2 ↓

Analogs

34541932
34541932

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Popular Name: 7-Oxo-8,15-isopimaradien-18-oic acid 7-Oxo-8,15-isopimaradien-18-oic …

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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 10.67 -58.61 0 3 -1 57 315.433 2 ↓
Lo Low (pH 4.5-6) 3.69 8.68 -13.37 1 3 0 54 316.441 2 ↓

Analogs

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Popular Name: Vincristine Vincristine

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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) 4.95 15.46 -132.8 5 14 2 174 826.988 10 ↓

Analogs

5924156
5924156
9212382
9212382
3202006
3202006

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Popular Name: VINCAMINE VINCAMINE

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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 8.23 -44.09 2 5 1 56 355.458 3 ↓
Hi High (pH 8-9.5) 3.18 5.93 -7.91 1 5 0 55 354.45 3 ↓

Analogs

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Popular Name: Vincaleukoblastine Vincaleukoblastine

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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) 5.56 13.39 -42.22 4 13 1 155 811.997 10 ↓
Mid Mid (pH 6-8) 5.56 16.11 -120.28 5 13 2 157 813.005 10 ↓

Analogs

3978828
3978828
3978829
3978829
4273370
4273370
4273371
4273371
4273372
4273372

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Popular Name: Ursolic acid Ursolic 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) 6.79 12.05 -49.78 1 3 -1 60 455.703 1 ↓
Lo Low (pH 4.5-6) 6.79 10.29 -5.45 2 3 0 58 456.711 1 ↓

Analogs

13523718
13523718

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Popular Name: trans-Zeatin trans-Zeatin

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.04 2.82 -11.33 3 6 0 87 219.248 4 ↓

Analogs

8214780
8214780
8143636
8143636

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Popular Name: tomatidine tomatidine

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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) 5.92 -2.28 -35.82 3 3 1 46 416.67 0 ↓

Analogs

1319141
1319141
4164459
4164459

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Popular Name: Strychnine Strychnine

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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 8.17 -53.77 1 4 1 34 335.427 0 ↓

Analogs

1530546
1530546

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Popular Name: S-ALLYL-L-CYSTEINE S-ALLYL-L-CYSTEINE

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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) -1.86 2.93 -31.05 3 3 0 68 161.226 5 ↓
Hi High (pH 8-9.5) -1.86 2.59 -42.33 2 3 -1 66 160.218 5 ↓

Analogs

4692659
4692659
12412601
12412601
14686820
14686820
17003397
17003397
17149644
17149644

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Popular Name: Rhynchophylline Rhynchophylline

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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) 2.83 9.05 -41.6 2 6 1 69 385.484 5 ↓

Analogs

9230252
9230252
12672222
12672222
12672225
12672225
3954147
3954147

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Popular Name: Reserpic acid Reserpic 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) 2.34 6.95 -16.41 3 7 0 99 400.475 3 ↓
Hi High (pH 8-9.5) 2.34 2.71 -40.81 2 7 -1 98 399.467 3 ↓

Analogs

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Popular Name: Rapanone Rapanone

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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) 5.63 9.98 -38.69 1 4 -1 77 321.437 12 ↓
Hi High (pH 8-9.5) 5.63 13.13 -99.71 0 4 -2 80 320.429 12 ↓
Hi High (pH 8-9.5) 5.63 9.89 -41.32 1 4 -1 77 321.437 12 ↓

Analogs

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Popular Name: D-(-)-Quinic acid D-(-)-Quinic 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) -2.33 -4.56 -47.5 4 6 -1 121 191.159 1 ↓

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Popular Name: 3,4-Dihydroxybenzoic acid 3,4-Dihydroxybenzoic 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) 0.88 0.14 -48.46 2 4 -1 81 153.113 1 ↓

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Popular Name: 4-Hydroxybenzoic acid 4-Hydroxybenzoic 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) 1.37 2.22 -47.43 1 3 -1 60 137.114 1 ↓

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Popular Name: LS-187452 LS-187452

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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 17.05 -60.45 3 9 0 142 592.696 7 ↓
Lo Low (pH 4.5-6) 5.94 15.08 -32.37 4 9 1 139 593.704 7 ↓
Lo Low (pH 4.5-6) 5.94 15.05 -32.61 4 9 1 139 593.704 7 ↓

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Popular Name: palmitic acid palmitic 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) 7.06 2.36 -44.91 0 2 -1 40 255.422 14 ↓

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Popular Name: Oleanolic acid Oleanolic 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) 6.73 12.27 -52.74 1 3 -1 60 455.703 1 ↓
Lo Low (pH 4.5-6) 6.73 10.3 -5.37 2 3 0 58 456.711 1 ↓

Analogs

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Popular Name: N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE N-(3-METHYLBUT-2-EN-1-YL)-9H-PUR…

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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) 2.29 5.99 -9.08 2 5 0 66 203.249 3 ↓

Analogs

3881785
3881785
4023974
4023974
4028737
4028737
4028847
4028847
4028848
4028848

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Popular Name: Matrine Matrine

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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) 1.98 7.63 -40.21 1 3 1 25 249.378 0 ↓

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Popular Name: Maslinic acid Maslinic 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) 5.81 9.73 -53.6 2 4 -1 81 471.702 1 ↓
Lo Low (pH 4.5-6) 5.81 7.75 -7.1 3 4 0 78 472.71 1 ↓

Analogs

2387305
2387305

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Popular Name: Monoethyl succinate Monoethyl succinate

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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) 0.03 3.65 -43.97 0 4 -1 66 145.134 5 ↓

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