UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3831613
3831613
3831612
3831612

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Popular Name: Zanamivir Zanamivir

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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) -3.51 -12.29 -65.75 9 11 0 202 332.313 7 ↓

Analogs

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Popular Name: N,O-dimethylserotonin N,O-dimethylserotonin

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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) 2.08 -0.99 -41.7 3 3 1 41 205.281 4 ↓

Analogs

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Popular Name: DNC014572 DNC014572

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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) 1.89 3.13 -9.55 3 5 0 78 217.228 2 ↓

Analogs

44512272
44512272
44512280
44512280

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Popular Name: DNC004168 DNC004168

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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 0.66 -35.2 2 2 1 20 229.347 2 ↓

Analogs

4090202
4090202

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Popular Name: (1-AMinoethyl)phosphonic Acid (1-AMinoethyl)phosphonic 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) -1.18 -3.38 -75.24 3 4 -1 90 124.056 1 ↓

Analogs

5157947
5157947

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Popular Name: 4-Nitroanisole 4-Nitroanisole

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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 4.46 -6.55 0 4 0 55 153.137 2 ↓

Analogs

44512272
44512272
44512280
44512280

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Popular Name: "3-((Piperidin-1-yl)methyl)-1H-indole, 98%" "3-((Piperidin-1-yl)methyl)-1H-i…

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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) 2.80 8.34 -34.55 2 2 1 20 215.32 2 ↓
Hi High (pH 8-9.5) 2.80 6.12 -4.64 1 2 0 19 214.312 2 ↓

Analogs

38522503
38522503

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Popular Name: 3-Amino-1-propene 3-Amino-1-propene

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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) -0.24 0.08 -38.6 3 1 1 28 58.104 1 ↓

Analogs

5344554
5344554

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Popular Name: 3-Indoleglyoxylic acid 3-Indoleglyoxylic 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) 0.86 4.57 -52.71 1 4 -1 73 188.162 2 ↓

Analogs

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Popular Name: 4-[(phenylsulfonyl)amino]butanoic acid 4-[(phenylsulfonyl)amino]butanoi…

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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) 0.79 2.97 -48.95 1 5 -1 86 242.276 6 ↓

Analogs

4096223
4096223
4513857
4513857
4513860
4513860
4513863
4513863
4513866
4513866

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Popular Name: Adenosine 2'-phosphate Adenosine 2'-phosphate

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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) -1.52 -10.12 -149.79 4 12 -2 191 345.208 4 ↓
Lo Low (pH 4.5-6) -4.62 -9.97 -98.22 5 12 -1 193 346.216 4 ↓

Analogs

34007650
34007650

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Popular Name: Nimesulide Nimesulide

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.81 4.93 -37.19 0 7 -1 103 307.307 5 ↓
Mid Mid (pH 6-8) 2.81 4.82 -11.73 1 7 0 101 308.315 5 ↓

Analogs

2164045
2164045
44624646
44624646
44624693
44624693

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Popular Name: DL-Leucylglycine DL-Leucylglycine

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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) -1.73 -3.75 -62.21 4 5 0 96 188.227 5 ↓

Analogs

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Popular Name: 1-(3-thienylmethyl)imidazole-2-thiol 1-(3-thienylmethyl)imidazole-2-t…

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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) 1.16 6.63 -16.82 1 2 0 21 196.3 2 ↓
Mid Mid (pH 6-8) -1.85 0.05 -30.09 1 2 1 19 197.308 2 ↓

Analogs

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Popular Name: 1-[(5-methyl-2-thienyl)methyl]imidazole-2-thiol 1-[(5-methyl-2-thienyl)methyl]im…

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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) 1.70 7.81 -20.08 1 2 0 21 210.327 2 ↓

Analogs

12503190
12503190
29319828
29319828

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Popular Name: Eprosartan mesylate Eprosartan mesylate

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.34 12.07 -108.21 1 6 -1 99 409.487 9 ↓
Mid Mid (pH 6-8) 4.33 0.54 -105.97 1 6 -1 95 409.487 9 ↓

Analogs

25492647
25492647

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Popular Name: 2-amino-6-(methylamino)pyrimidin-4-ol 2-amino-6-(methylamino)pyrimidin…

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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 0.58 -12.64 4 5 0 84 140.146 1 ↓

Analogs

4556760
4556760
4556761
4556761
4556762
4556762
34484779
34484779
41673080
41673080

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Popular Name: H-gly-leu-ome hcl H-gly-leu-ome hcl

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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 -2.22 -46 4 5 1 83 203.262 6 ↓

Analogs

607754
607754
5849645
5849645
16968605
16968605

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Popular Name: LS-114416 LS-114416

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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) 4.17 9.79 -38.31 3 3 1 48 351.514 6 ↓

Analogs

38413756
38413756

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Popular Name: Imatinib Imatinib

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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) 3.89 13.15 -49.4 3 8 1 87 494.623 7 ↓
Mid Mid (pH 6-8) 3.89 13.03 -52.36 3 8 1 87 494.623 7 ↓
Mid Mid (pH 6-8) 3.89 10.78 -14.7 2 8 0 86 493.615 7 ↓

Analogs

4223416
4223416
4223418
4223418
4223420
4223420
4223422
4223422
4223424
4223424

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Popular Name: ethyl ethyl

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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 0.41 -41.98 2 5 1 59 311.427 6 ↓

Analogs

2036137
2036137
2390950
2390950
3651660
3651660
36458942
36458942
44650904
44650904

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Popular Name: N-Glycyl-L-leucine N-Glycyl-L-leucine

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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) -1.85 -3.25 -71.14 4 5 0 96 188.227 5 ↓

Analogs

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Popular Name: 6-Methylamino-5-Nitroisocytosine 6-Methylamino-5-Nitroisocytosine

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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) -0.65 2.45 -19.35 4 8 0 130 185.143 2 ↓

Analogs

1730665
1730665
2169803
2169803
2169804
2169804
3651662
3651662
44650924
44650924

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Popular Name: Glycyl-dl-alanine Glycyl-dl-alanine

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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) -3.16 -4.19 -66.44 4 5 0 96 146.146 3 ↓

Analogs

2169803
2169803
2169804
2169804
3651662
3651662
44650924
44650924
44650925
44650925

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Popular Name: Glycyl-dl-alanine Glycyl-dl-alanine

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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) -3.16 -4.19 -66.5 4 5 0 96 146.146 3 ↓

Analogs

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Popular Name: NAS-181 NAS-181

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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) 1.25 3.79 -50.99 2 6 1 57 347.435 5 ↓
Hi High (pH 8-9.5) 1.25 2.37 -10.67 1 6 0 52 346.427 5 ↓

Analogs

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Popular Name: NAS-181 NAS-181

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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) 1.25 3.77 -49.25 2 6 1 57 347.435 5 ↓
Hi High (pH 8-9.5) 1.25 2.4 -10.91 1 6 0 52 346.427 5 ↓

Analogs

34553587
34553587
34553588
34553588
39126095
39126095

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Popular Name: N-Acetyl-L-leucine N-Acetyl-L-leucine

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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) -1.11 3.68 -53.43 1 4 -1 69 172.204 4 ↓

Analogs

34530759
34530759

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Popular Name: 5-[(phenylsulfonyl)amino]pentanoic acid 5-[(phenylsulfonyl)amino]pentano…

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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) 1.30 3.75 -49.73 1 5 -1 86 256.303 7 ↓
Lo Low (pH 4.5-6) 1.30 1.77 -13.71 2 5 0 83 257.311 7 ↓

Analogs

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Popular Name: 7-[(phenylsulfonyl)amino]heptanoic acid 7-[(phenylsulfonyl)amino]heptano…

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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 5.31 -51.06 1 5 -1 86 284.357 9 ↓
Lo Low (pH 4.5-6) 2.31 3.34 -13.67 2 5 0 83 285.365 9 ↓

Analogs

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Popular Name: 1-[(5-chloro-2-thienyl)methyl]imidazole-2-thiol 1-[(5-chloro-2-thienyl)methyl]im…

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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 7.61 -20.15 1 2 0 21 230.745 2 ↓

Analogs

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Popular Name: ANGELIC ACID ANGELIC 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 3.04 -47.62 0 2 -1 40 99.109 1 ↓

Analogs

1708203
1708203
1708204
1708204
1708205
1708205

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Popular Name: L-Leucyl-L-tyrosine L-Leucyl-L-tyrosine

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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) -0.96 -3.96 -72.01 5 6 0 117 294.351 7 ↓

Analogs

5371008
5371008
5371009
5371009
5371011
5371011
5376115
5376115
13507152
13507152

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Popular Name: Epalrestat Epalrestat

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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) 2.44 9.92 -56.16 0 4 -1 62 318.399 4 ↓

Analogs

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Popular Name: 5-Methyl-3-[3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]-1-piperazinyl]propyl]-2,4-(1h,3h)-pyrimidinedione] hydrochloride 5-Methyl-3-[3-[3-[4-[2-(2,2,2-tr…

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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 9.72 -42.06 2 7 1 72 427.447 8 ↓
Mid Mid (pH 6-8) 2.42 7.51 -16.59 1 7 0 71 426.439 8 ↓

Analogs

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Popular Name: 1-Piperazinepropionic acid, 4-(2-pyridinyl)-, ethyl ester, hydrochloride, hydrate (1:2:1); 4-(2-Pyridinyl)-1-piperazinepropionic acid ethyl ester dihydrochloride hydrate; LS-113424 1-Piperazinepropionic acid, 4-(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) 1.23 5.23 -34.59 1 5 1 47 264.349 6 ↓
Mid Mid (pH 6-8) 1.23 7.32 -43.39 1 5 1 47 264.349 6 ↓
Mid Mid (pH 6-8) 1.23 4.95 -8.51 0 5 0 46 263.341 6 ↓

Analogs

4899421
4899421

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Popular Name: H-PHE-PHE-OH H-PHE-PHE-OH

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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 -2.73 -64.96 4 5 0 96 312.369 7 ↓

Analogs

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Popular Name: Stearylamine Stearylamine

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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) 7.63 12 -39.39 3 1 1 28 270.525 16 ↓

Analogs

32155422
32155422

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Popular Name: 2-Amino-4-hydroxypyrimidine 2-Amino-4-hydroxypyrimidine

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.74 0.66 -10.6 3 4 0 72 111.104 0 ↓

Analogs

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Popular Name: 2,4-Pyrimidinediamine, 6-ethyl-5-[4-[methyl(phenylmethyl) amino]-3-nitrophenyl]- 2,4-Pyrimidinediamine, 6-ethyl-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) 3.55 12.08 -35.97 5 8 1 128 379.444 6 ↓
Mid Mid (pH 6-8) 3.55 11.62 -9.15 4 8 0 127 378.436 6 ↓

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Popular Name: Phe-arg beta-naphthylamide dihydrochloride Phe-arg beta-naphthylamide dihyd…

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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) 1.46 6.53 -39.03 9 8 1 148 447.563 11 ↓
Hi High (pH 8-9.5) 1.33 6.63 -43.48 9 8 1 150 447.563 10 ↓
Mid Mid (pH 6-8) 1.33 6.9 -102.54 10 8 2 152 448.571 10 ↓

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Popular Name: Phe-gly-gly-phe Phe-gly-gly-phe

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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) -1.12 3.98 -53.54 5 9 -1 153 425.465 11 ↓

Analogs

4201405
4201405
4201406
4201406
34583524
34583524
34583525
34583525

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Popular Name: N-Benzoyl-DL-alanine N-Benzoyl-DL-alanine

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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) -0.75 3.57 -45.79 1 4 -1 69 192.194 3 ↓

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Popular Name: 1-(2-furylmethyl)-1H-imidazole-2-thiol 1-(2-furylmethyl)-1H-imidazole-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) 0.83 5.85 -20.86 1 3 0 34 180.232 2 ↓
Mid Mid (pH 6-8) -2.18 1.09 -30.75 1 3 1 32 181.24 2 ↓

Analogs

34142538
34142538
37033453
37033453
37812177
37812177
37812178
37812178
37812184
37812184

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Popular Name: methyl methyl

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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) -0.20 0.81 -44.16 4 5 1 83 203.262 6 ↓

Analogs

5379840
5379840
5726715
5726715
15752
15752
5355
5355

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Popular Name: 4-[(dimethylamino)methyl]-2,6-diisopropylbenzenol 4-[(dimethylamino)methyl]-2,6-di…

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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) 3.46 1.97 -37.44 2 2 1 24 236.379 4 ↓

Analogs

34017619
34017619
34017620
34017620
34937007
34937007
34973291
34973291
34973308
34973308

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Popular Name: N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine N-methyl-3-[4-(trifluoromethyl)p…

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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) 2.95 5.78 -43.8 2 2 1 26 234.241 6 ↓

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Popular Name: 2-Amino-5,5-diphenyl-3,5-dihydro-4H-imidazol-4-one 2-Amino-5,5-diphenyl-3,5-dihydro…

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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) 1.85 5.78 -21.32 3 4 0 67 251.289 2 ↓

Analogs

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Popular Name: 2-[3-(2-chlorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetic acid 2-[3-(2-chlorobenzyl)-2,4,5-trio…

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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) 0.04 1.39 -45.73 0 7 -1 101 295.658 4 ↓

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Popular Name: Ile-Gln Ile-Gln

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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 -5.23 -81.82 6 7 0 139 259.306 8 ↓

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