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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

70513473
70513473
70513474
70513474
70513477
70513477
70513478
70513478
70513479
70513479

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Popular Name: Delmopinol Delmopinol

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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) 4.02 4.5 -4.8 1 3 0 33 271.445 10 ↓
Mid Mid (pH 6-8) 4.02 6.75 -33.32 2 3 1 34 272.453 10 ↓

Analogs

70513473
70513473
70513474
70513474
70513477
70513477
70513478
70513478
70513479
70513479

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Popular Name: Delmopinol Delmopinol

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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) 4.02 4.12 -4.86 1 3 0 33 271.445 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6,7-Dimethoxyphthalazin-1-yl)piperidin-4-yl ethylcarbamate 1-(6,7-Dimethoxyphthalazin-1-yl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.84 5.66 -32.76 2 8 1 87 361.422 6 ↓
Hi High (pH 8-9.5) 1.74 5.16 -92.9 7 8 2 122 438.507 5 ↓
Mid Mid (pH 6-8) 0.84 5.67 -39.11 2 8 1 87 361.422 6 ↓

Analogs

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Popular Name: Thiazovivin Thiazovivin

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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) 2.01 7.12 -10.35 2 6 0 80 311.37 5 ↓

Analogs

13122806
13122806

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Popular Name: VX-770 VX-770

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.82 6.13 -8.58 2 3 0 49 250.301 2 ↓
Hi High (pH 8-9.5) 3.82 6.92 -49.24 1 3 -1 52 249.293 2 ↓
Hi High (pH 8-9.5) 3.82 6.77 -47.27 1 3 -1 52 249.293 2 ↓

Analogs

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Popular Name: sappanchalcone sappanchalcone

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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) 2.35 -2.48 -15.9 3 5 0 86 286.283 4 ↓

Analogs

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Popular Name: BI-D1870 BI-D1870

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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) 3.93 7.6 -11.91 2 7 0 82 391.422 5 ↓
Mid Mid (pH 6-8) 3.93 8.31 -50.21 1 7 -1 84 390.414 5 ↓
Lo Low (pH 4.5-6) 3.93 7.81 -39.47 3 7 1 83 392.43 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: BI-D1870 BI-D1870

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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) 3.93 7.63 -11.57 2 7 0 82 391.422 5 ↓
Mid Mid (pH 6-8) 3.93 8.35 -50.44 1 7 -1 84 390.414 5 ↓
Lo Low (pH 4.5-6) 3.93 7.83 -40.47 3 7 1 83 392.43 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: VX-702 VX-702

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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) 3.26 5.98 -25.03 4 6 0 102 404.323 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-(4-Fluorophenyl)-2-(4-(methylsulfinyl)phenyl)-1H-imidazol-5-yl)pyridine 4-(4-(4-Fluorophenyl)-2-(4-(meth…

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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) 3.10 8.8 -21.46 1 4 0 59 377.444 4 ↓
Lo Low (pH 4.5-6) 3.10 9.25 -46.75 2 4 1 60 378.452 4 ↓
Lo Low (pH 4.5-6) 3.10 9.24 -46.38 2 4 1 60 378.452 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: SB 203580 SB 203580

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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) 3.10 8.81 -16.64 1 4 0 59 377.444 4 ↓
Ref Reference (pH 7) 3.10 8.8 -16.98 1 4 0 59 377.444 4 ↓
Lo Low (pH 4.5-6) 3.10 9.25 -46.22 2 4 1 60 378.452 4 ↓

Analogs

39134220
39134220
39134221
39134221
39134222
39134222

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Popular Name: PK 11195 PK 11195

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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) 5.46 12.38 -10.59 0 3 0 33 352.865 4 ↓

Analogs

39134220
39134220
39134221
39134221
39134222
39134222

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Popular Name: PK-11195 PK-11195

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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) 5.46 12.38 -10.5 0 3 0 33 352.865 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ABT-869 ABT-869

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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) 4.73 7.88 -12.09 5 6 0 96 375.407 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3,3-Trimethylindolinonaphthospirooxazine 1,3,3-Trimethylindolinonaphthosp…

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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) 5.64 9.9 -8.2 0 3 0 25 328.415 0 ↓
Lo Low (pH 4.5-6) 5.64 10.25 -30.61 1 3 1 26 329.423 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,3,3-Trimethylindolinonaphthospirooxazine 1,3,3-Trimethylindolinonaphthosp…

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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) 5.64 9.87 -8.21 0 3 0 25 328.415 0 ↓
Lo Low (pH 4.5-6) 5.64 10.24 -30.63 1 3 1 26 329.423 0 ↓

Analogs

538644
538644
601241
601241

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Popular Name: Zopiclone Zopiclone

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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 3.33 -15.82 0 9 0 92 388.815 3 ↓

Analogs

538644
538644
601241
601241

Draw Identity 99% 90% 80% 70%

Popular Name: Zopiclone Zopiclone

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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 3.34 -16.14 0 9 0 92 388.815 3 ↓

Analogs

32131087
32131087
32131089
32131089
3995781
3995781
4292831
4292831

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Popular Name: Clozapine Clozapine

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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) 4.14 7.55 -7.08 1 4 0 35 326.831 1 ↓
Hi High (pH 8-9.5) 4.14 8.88 -23.43 2 4 1 36 327.839 1 ↓
Mid Mid (pH 6-8) 4.14 11.23 -89.99 3 4 2 38 328.847 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: AG-490 AG-490

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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 3.02 -11.13 3 5 0 93 294.31 4 ↓

Analogs

4982
4982

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Popular Name: Rolipram Rolipram

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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) 2.67 5.44 -11.23 1 4 0 48 275.348 4 ↓
Ref Reference (pH 7) 2.85 2.11 -7.58 1 4 0 51 275.348 4 ↓

Analogs

2000919
2000919

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Popular Name: Rolipram Rolipram

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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) 2.67 5.43 -11.26 1 4 0 48 275.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: PD 98059 PD 98059

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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 5.85 -10.31 2 4 0 65 267.284 2 ↓

Analogs

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Popular Name: LUZINDOLE LUZINDOLE

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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) 3.61 8.44 -12.45 2 3 0 45 292.382 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Loratadine Loratadine

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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) 4.58 12.09 -8.52 0 4 0 42 382.891 2 ↓
Lo Low (pH 4.5-6) 4.58 12.29 -40.63 1 4 1 44 383.899 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Lamotrigine Lamotrigine

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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) 2.04 4.34 -11.23 4 5 0 91 256.096 1 ↓
Lo Low (pH 4.5-6) 2.04 4.52 -30.43 5 5 1 92 257.104 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Zardaverine Zardaverine

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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) 1.95 3.07 -12.5 1 5 0 64 268.219 4 ↓
Hi High (pH 8-9.5) 2.40 1.22 -48.8 0 5 -1 67 267.211 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Olanzapine Olanzapine

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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) 3.47 6.89 -8.12 1 4 0 35 312.442 1 ↓

Analogs

4097407
4097407
5820248
5820248
39953570
39953570
1530831
1530831
1530832
1530832

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Popular Name: CANNABIDIOL CANNABIDIOL

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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) 7.14 0.62 -3.91 2 2 0 40 314.469 6 ↓

Analogs

3996025
3996025

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Popular Name: GR 79236 GR 79236

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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) -0.23 -13.5 -17.5 5 10 0 145 351.363 4 ↓

Analogs

3784136
3784136

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Popular Name: GYKI 53655 GYKI 53655

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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 -2.64 -11.74 3 7 0 89 352.394 1 ↓

Analogs

598361
598361

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Popular Name: GYKI 53655 GYKI 53655

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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 -2.67 -11.77 3 7 0 89 352.394 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: SB202190 SB202190

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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) 3.59 8.78 -41.1 2 4 0 62 331.35 2 ↓
Mid Mid (pH 6-8) 3.59 9.26 -92.55 3 4 1 63 332.358 2 ↓
Mid Mid (pH 6-8) 3.78 7.25 -9.85 2 4 0 62 331.35 3 ↓

Analogs

839816
839816

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Popular Name: (R)-(-)-BMS 204352 (R)-(-)-BMS 204352

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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) 4.38 2.88 -8.59 1 3 0 38 359.706 3 ↓

Analogs

538646
538646

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Popular Name: BMS-204352 BMS-204352

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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) 4.38 2.86 -8.57 1 3 0 38 359.706 3 ↓

Analogs

31554150
31554150
31570634
31570634
1959
1959

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Popular Name: Piribedil Piribedil

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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) 1.93 7.01 -9.97 0 6 0 51 298.346 3 ↓

Analogs

22057516
22057516
22057521
22057521
635071
635071

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Popular Name: Felodipine Felodipine

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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) 4.05 9.51 -34.29 0 5 -1 71 383.251 5 ↓

Analogs

22057516
22057516
22057521
22057521
635071
635071

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Popular Name: Felodipine Felodipine

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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) 4.05 9.51 -34.69 0 5 -1 71 383.251 5 ↓

Analogs

597419
597419

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Popular Name: SDZ-WAG 994 SDZ-WAG 994

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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) 2.04 -8.58 -13.38 3 9 0 114 363.418 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Istradefylline Istradefylline

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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 2.1 -14.41 0 8 0 80 384.436 6 ↓

Analogs

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Popular Name: SCH 58261 SCH 58261

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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) 2.59 10.81 -11.79 2 8 0 100 345.366 4 ↓

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Popular Name: DMP 543 DMP 543

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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) 5.21 11.61 -28.27 0 3 0 43 412.439 4 ↓

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Popular Name: WAY 100135 dihydrochloride WAY 100135 dihydrochloride

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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) 4.30 9.46 -8.08 1 5 0 45 395.547 7 ↓

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Popular Name: (S)-n-tert-butyl-3-(4-(2-methoxyphenyl)-piperazin-1-yl)-2-phenylpropanamide dihydrochloride (S)-n-tert-butyl-3-(4-(2-methoxy…

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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) 4.30 9 -8.74 1 5 0 45 395.547 7 ↓

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Popular Name: CFM 2 CFM 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) 1.21 3.46 -10.52 3 6 0 86 311.341 3 ↓

Analogs

512
512

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Popular Name: Molindone hydrochloride Molindone 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) 2.16 5.69 -11.34 1 4 0 45 276.38 3 ↓
Mid Mid (pH 6-8) 2.12 7.04 -48.98 1 4 1 43 277.388 3 ↓

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512
512

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Popular Name: Molindone hydrochloride Molindone 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) 2.16 5.69 -11.35 1 4 0 45 276.38 3 ↓
Mid Mid (pH 6-8) 2.12 6.82 -50.27 1 4 1 43 277.388 3 ↓

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Popular Name: ISOCLOZAPINE ISOCLOZAPINE

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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) 4.14 7.56 -6.67 1 4 0 35 326.831 1 ↓

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Popular Name: AEG 3482 AEG 3482

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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) 1.35 1 -13.69 2 6 0 90 280.334 2 ↓
Hi High (pH 8-9.5) 1.35 1.48 -36.6 1 6 -1 88 279.326 2 ↓

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Popular Name: DH 97 DH 97

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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) 5.52 10.79 -11.94 2 3 0 45 334.463 8 ↓

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

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