UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: L-Abrine L-Abrine

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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) -0.17 5.79 -29.19 3 4 0 73 218.256 4 ↓

Analogs

3881796
3881796

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Popular Name: ANDROGRAPHOLIDE ANDROGRAPHOLIDE

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.05 1.5 -12.88 3 5 0 87 350.455 3 ↓

Analogs

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Popular Name: ELLAGIC ACID ELLAGIC 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) 0.94 -1.09 -13.29 4 8 0 141 302.194 0 ↓
Hi High (pH 8-9.5) 0.49 -0.46 -37.99 3 8 -1 144 301.186 0 ↓
Hi High (pH 8-9.5) 0.94 -0.07 -45.06 3 8 -1 144 301.186 0 ↓

Analogs

3872686
3872686

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Popular Name: 6-GINGEROL 6-GINGEROL

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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) 3.22 6.04 -12.03 2 4 0 67 294.391 10 ↓

Analogs

1531846
1531846

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Popular Name: 6-GINGEROL 6-GINGEROL

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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) 3.22 6.04 -12.05 2 4 0 67 294.391 10 ↓

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: HARMALOL HARMALOL

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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 1.46 -7.2 2 3 0 48 200.241 0 ↓
Ref Reference (pH 7) 1.77 3.41 -48.19 2 3 0 45 200.241 0 ↓
Ref Reference (pH 7) 1.97 2.48 -31.67 3 3 1 46 201.249 0 ↓

Analogs

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Popular Name: HARMOL HARMOL

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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) 2.09 2.68 -7.61 2 3 0 49 198.225 0 ↓
Ref Reference (pH 7) 2.09 3.1 -33.34 3 3 1 50 199.233 0 ↓
Hi High (pH 8-9.5) 2.09 3.44 -44.12 1 3 -1 52 197.217 0 ↓

Analogs

5195818
5195818

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Popular Name: Alpha-Mangostin Alpha-Mangostin

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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) 6.32 6.65 -10.92 3 6 0 100 410.466 5 ↓
Mid Mid (pH 6-8) 5.42 7.43 -44.09 2 6 -1 103 409.458 5 ↓

Analogs

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Popular Name: L-MIMOSINE L-MIMOSINE

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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) -4.16 1.04 -45.07 4 6 0 110 198.178 3 ↓
Hi High (pH 8-9.5) 3.00 8.44 -11.93 0 7 0 77 425.436 7 ↓

Analogs

4245611
4245611
17027441
17027441

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Popular Name: PICROTOXININ PICROTOXININ

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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) -1.21 2.83 -16.67 1 6 0 85 292.287 1 ↓

Analogs

34583707
34583707
39283830
39283830

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Popular Name: PLUMBAGIN PLUMBAGIN

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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) 1.78 4.24 -7.85 1 3 0 54 188.182 0 ↓

Analogs

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Popular Name: PONGAMOL PONGAMOL

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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) 4.36 7.13 -12.93 0 4 0 63 293.298 4 ↓
Mid Mid (pH 6-8) 3.16 3.8 -22.24 0 4 0 57 294.306 5 ↓
Mid Mid (pH 6-8) 4.36 9.56 -59.86 0 4 -1 63 293.298 4 ↓

Analogs

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Popular Name: mimosine mimosine

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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) -4.16 1.03 -42.84 4 6 0 110 198.178 3 ↓

Analogs

7997513
7997513
14655816
14655816
17027438
17027438
27519907
27519907
31771386
31771386

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Popular Name: PICROTIN PICROTIN

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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) -2.23 2.63 -18.59 2 7 0 106 310.302 1 ↓

Analogs

4247587
4247587
4247588
4247588
4247590
4247590

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Popular Name: MANGIFERIN MANGIFERIN

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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) -0.82 -11.29 -21.8 5 9 0 153 392.36 2 ↓
Mid Mid (pH 6-8) -1.56 -12.04 -27.02 4 9 0 150 392.36 2 ↓

Analogs

4247588
4247588
4247590
4247590
4247581
4247581

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Popular Name: MANGIFERIN MANGIFERIN

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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) -0.82 -12.8 -22.84 5 9 0 153 392.36 2 ↓
Mid Mid (pH 6-8) -1.56 -13.18 -25.88 4 9 0 150 392.36 2 ↓

Analogs

4247590
4247590
4247581
4247581
4247587
4247587

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Popular Name: MANGIFERIN MANGIFERIN

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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) -0.82 -12.25 -21.77 5 9 0 153 392.36 2 ↓
Mid Mid (pH 6-8) -1.56 -12.93 -27.78 4 9 0 150 392.36 2 ↓

Analogs

4247581
4247581
4247587
4247587
4247588
4247588

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Popular Name: MANGIFERIN MANGIFERIN

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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) -0.82 -11.83 -23.44 5 9 0 153 392.36 2 ↓
Mid Mid (pH 6-8) -1.56 -12.56 -24.03 4 9 0 150 392.36 2 ↓

Analogs

3881796
3881796

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Popular Name: ANDROGRAPHOLIDE ANDROGRAPHOLIDE

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.05 2.68 -13.02 3 5 0 87 350.455 3 ↓

Analogs

3881796
3881796

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Popular Name: ANDROGRAPHOLIDE ANDROGRAPHOLIDE

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.05 -3.14 -14.34 3 5 0 86 350.455 3 ↓

Analogs

3881796
3881796

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Popular Name: ANDROGRAPHOLIDE ANDROGRAPHOLIDE

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.05 -3.79 -14.69 3 5 0 86 350.455 3 ↓

Analogs

4577166
4577166
4577167
4577167
5529758
5529758
5752284
5752284
3977749
3977749

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Popular Name: CONESSINE CONESSINE

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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) 4.79 2.95 -72.95 2 2 2 8 358.614 1 ↓

Analogs

4349859
4349859
4349862
4349862
4349863
4349863

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Popular Name: FORSKOLIN FORSKOLIN

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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) 2.12 -0.22 -12.51 3 6 0 104 394.508 3 ↓

Analogs

4349862
4349862
4349863
4349863
4349857
4349857

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Popular Name: FORSKOLIN FORSKOLIN

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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) 2.12 -0.43 -9.29 3 6 0 104 394.508 3 ↓

Analogs

4349863
4349863
4349857
4349857
4349859
4349859

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Popular Name: FORSKOLIN FORSKOLIN

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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) 2.12 -0.54 -8.48 3 6 0 104 394.508 3 ↓

Analogs

4349857
4349857
4349859
4349859
4349862
4349862

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Popular Name: FORSKOLIN FORSKOLIN

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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) 2.12 -0.3 -8.94 3 6 0 104 394.508 3 ↓

Analogs

4349900
4349900
4349902
4349902
4349905
4349905

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Popular Name: SUMARESINOLIC ACID SUMARESINOLIC 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 -0.21 -56.14 2 4 -1 80 471.702 1 ↓

Analogs

4349902
4349902
4349905
4349905
4349898
4349898

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Popular Name: SUMARESINOLIC ACID SUMARESINOLIC 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 0.01 -56.86 2 4 -1 80 471.702 1 ↓

Analogs

4349905
4349905
4349898
4349898
4349900
4349900

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Popular Name: SUMARESINOLIC ACID SUMARESINOLIC 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 -0.82 -55.31 2 4 -1 80 471.702 1 ↓

Analogs

4349898
4349898
4349900
4349900
4349902
4349902

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Popular Name: SUMARESINOLIC ACID SUMARESINOLIC 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 -0.4 -57.74 2 4 -1 80 471.702 1 ↓

Analogs

4482687
4482687

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Popular Name: Caffeic acid Caffeic 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) 0.94 1.43 -49.59 2 4 -1 81 179.151 2 ↓

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

33799539
33799539
44608728
44608728

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Popular Name: Curcumin Curcumin

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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 7.14 -22.28 2 6 0 93 368.385 8 ↓
Hi High (pH 8-9.5) 3.05 5.47 -58.07 2 6 -1 99 367.377 7 ↓

Analogs

31970705
31970705

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Popular Name: PIPERLONGUMINE PIPERLONGUMINE

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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) 1.88 7.79 -21.88 0 6 0 65 319.357 5 ↓

Analogs

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Popular Name: SUMARESINOLIC ACID SUMARESINOLIC 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 9.87 -54.01 2 4 -1 81 471.702 1 ↓
Lo Low (pH 4.5-6) 5.81 7.94 -7.27 3 4 0 78 472.71 1 ↓

Analogs

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Popular Name: TETRANDRINE TETRANDRINE

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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) 6.55 12.56 -14.64 0 8 0 62 622.762 4 ↓
Lo Low (pH 4.5-6) 6.55 15.24 -57.28 1 8 1 63 623.77 4 ↓

Analogs

8382399
8382399

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Popular Name: ICARIIN ICARIIN

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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) 1.67 -15.05 -23.81 8 15 0 238 676.668 9 ↓

Analogs

8382399
8382399

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Popular Name: ICARIIN ICARIIN

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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 -3.67 -21.04 8 15 0 238 676.668 9 ↓

Analogs

8382399
8382399

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Popular Name: ICARIIN ICARIIN

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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 -3.52 -19.13 8 15 0 238 676.668 9 ↓

Analogs

8382399
8382399

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Popular Name: ICARIIN ICARIIN

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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 -2.52 -21.18 8 15 0 238 676.668 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ANDROGRAPHOLIDE ANDROGRAPHOLIDE

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.05 1.89 -14.36 3 5 0 87 350.455 3 ↓

Analogs

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Popular Name: ANDROGRAPHOLIDE ANDROGRAPHOLIDE

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Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.05 1.86 -13.22 3 5 0 87 350.455 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ANDROGRAPHOLIDE ANDROGRAPHOLIDE

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Vendors

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.05 1.48 -13.17 3 5 0 87 350.455 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ANDROGRAPHOLIDE ANDROGRAPHOLIDE

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Vendors

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.05 2.75 -13.54 3 5 0 87 350.455 3 ↓

Analogs

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Popular Name: Harmine Harmine

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And 39 More

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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) 2.63 5.25 -32.65 2 3 1 39 213.26 1 ↓
Hi High (pH 8-9.5) 2.63 4.83 -7.3 1 3 0 38 212.252 1 ↓

Analogs

5752284
5752284
3977749
3977749
3977747
3977747

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Popular Name: CONESSINE CONESSINE

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Vendors

Activity (Go SEA)

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) 4.79 3.15 -77.51 2 2 2 8 358.614 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: CONESSINE CONESSINE

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Vendors

Activity (Go SEA)

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) 4.79 13.24 -77.43 2 2 2 9 358.614 1 ↓

Analogs

4349851
4349851
4577166
4577166
4577167
4577167
5529758
5529758
5752284
5752284

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Popular Name: CONESSINE CONESSINE

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Vendors

And 3 More

Activity (Go SEA)

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) 4.79 13.04 -76.57 2 2 2 9 358.614 1 ↓

Analogs

36728545
36728545
36728546
36728546
36728547
36728547
36728548
36728548

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Popular Name: MANGIFERIN MANGIFERIN

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Vendors

Activity (Go SEA)

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) -0.23 -5.18 -22.26 6 9 0 157 392.36 2 ↓

Parameters Provided:

page.format = basic
page.num = 1
catalog.name = indofinenp
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1 AND c.short_name LIKE 'indofinenp' 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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