UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(Benzhydrylsulfonyl)acetamide 2-(Benzhydrylsulfonyl)acetamide

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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) 1.62 3.49 -22.04 2 4 0 77 289.356 5 ↓

Analogs

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Popular Name: 2-Benzhydrylsulfanyl-acetamide 2-Benzhydrylsulfanyl-acetamide

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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) 2.75 -1.36 -10.65 2 2 0 43 257.358 5 ↓

Analogs

4834358
4834358

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Popular Name: Acetamide,2-chloro-N-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)- Acetamide,2-chloro-N-(2,6-dichlo…

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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) 4.98 9.69 -9.22 0 3 0 30 344.625 4 ↓

Analogs

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Popular Name: Acetamide,N-(1-acetyl-2-oxopropyl)- Acetamide,N-(1-acetyl-2-oxopropyl)-

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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 1.11 -12.66 1 4 0 63 157.169 3 ↓

Analogs

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Popular Name: N-(2-amino-4,5-dichlorophenyl)acetamide N-(2-amino-4,5-dichlorophenyl)ac…

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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 2.53 -10.46 3 3 0 55 219.071 1 ↓

Analogs

39051086
39051086

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Popular Name: N-(5-methylpyridin-2-yl)acetamide N-(5-methylpyridin-2-yl)acetamide

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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) 0.71 3.72 -13.02 1 3 0 42 150.181 1 ↓
Lo Low (pH 4.5-6) 0.71 3.48 -26.86 2 3 1 43 151.189 1 ↓

Analogs

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Popular Name: N-(4-Chloro-3-cyano-7-ethoxy-6-quinolinyl)acetamide N-(4-Chloro-3-cyano-7-ethoxy-6-q…

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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) 2.14 4.88 -10.23 1 5 0 75 289.722 3 ↓

Analogs

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Popular Name: Acetamide, N-[3-(2-benzothiazolyl)-4-chlorophenyl]-2-(2,4-dichlorophenoxy)- Acetamide, N-[3-(2-benzothiazoly…

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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) 7.04 -1.05 -22.45 1 4 0 51 463.773 5 ↓

Analogs

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Popular Name: (2-Furfurylthio)acetic acid methyl ester (2-Furfurylthio)acetic acid 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) 1.55 5.4 -9.79 0 3 0 39 186.232 5 ↓

Analogs

22058194
22058194
44126539
44126539

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Popular Name: Ethyl 2-(benzhydrylsulfinyl)acetate Ethyl 2-(benzhydrylsulfinyl)acetate

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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) 2.73 9.41 -16.63 0 3 0 43 302.395 7 ↓

Analogs

44126539
44126539
22058191
22058191

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Popular Name: Ethyl 2-(benzhydrylsulfinyl)acetate Ethyl 2-(benzhydrylsulfinyl)acetate

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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) 2.73 9.41 -16.62 0 3 0 43 302.395 7 ↓

Analogs

42900523
42900523
42900526
42900526
42907650
42907650
42907652
42907652

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Popular Name: ethyl 2-[(diphenylmethyl)sulfanyl]acetate ethyl 2-[(diphenylmethyl)sulfany…

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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) 4.25 11.46 -7.44 0 2 0 26 286.396 7 ↓

Analogs

7500208
7500208
34343475
34343475
1577041
1577041

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Popular Name: Acetonitrile, [phenyl(phenylmethyl)amino]- Acetonitrile, [phenyl(phenylmeth…

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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 2.93 -8.04 0 2 0 27 222.291 4 ↓

Analogs

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Popular Name: tert-Butyl2-(2-Chloroethoxy)acetate tert-Butyl2-(2-Chloroethoxy)acetate

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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 5.45 -8.76 0 3 0 36 194.658 6 ↓

Analogs

3831139
3831139

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Popular Name: MODAFINIL MODAFINIL

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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) 1.22 4.11 -17.73 2 3 0 60 273.357 5 ↓

Analogs

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Popular Name: Ethyl 3-(3-amino-4-(methylamino)-N-(pyridin-2-yl)benzamido)propanoate Ethyl 3-(3-amino-4-(methylamino)…

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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) 1.64 6.42 -12.92 3 7 0 98 342.399 8 ↓

Analogs

3978360
3978360
3978361
3978361
4025339
4025339
4025340
4025340
4104852
4104852

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Popular Name: 10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one 10,13-dimethyl-1,4,5,6,7,8,9,11,…

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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) 4.32 2.38 -4.35 0 1 0 17 272.432 0 ↓

Analogs

3978360
3978360
3978361
3978361
4025339
4025339
4025340
4025340
4104852
4104852

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Popular Name: 10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one 10,13-dimethyl-1,4,5,6,7,8,9,11,…

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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) 4.32 2.32 -4.31 0 1 0 17 272.432 0 ↓

Analogs

3978361
3978361
4025339
4025339
4025340
4025340
4104852
4104852
5275705
5275705

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Popular Name: Androst-2-en-17-one, (5¦Á)- Androst-2-en-17-one, (5¦Á)-

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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) 4.32 2.35 -4.41 0 1 0 17 272.432 0 ↓

Analogs

4025339
4025339
4025340
4025340
4104852
4104852
5275705
5275705
5275766
5275766

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Popular Name: 5a-androst-2-en-17-one 5a-androst-2-en-17-one

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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) 4.32 2.3 -4.6 0 1 0 17 272.432 0 ↓

Analogs

3814431
3814431
3849834
3849834

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Popular Name: Androstane,3-hydroxy- Androstane,3-hydroxy-

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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) 4.76 -0.64 -1.51 1 1 0 20 276.464 0 ↓

Analogs

3814431
3814431
3849834
3849834

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Popular Name: Androstane,3-hydroxy- Androstane,3-hydroxy-

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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) 4.76 -0.2 -1.3 1 1 0 20 276.464 0 ↓

Analogs

4095966
4095966
4096020
4096020
4175339
4175339
4175345
4175345
4175346
4175346

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Popular Name: Androstan-3-one Androstan-3-one

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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 2.12 -3.53 0 1 0 17 274.448 0 ↓

Analogs

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Popular Name: Androstan-3-one Androstan-3-one

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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 2.14 -4.4 0 1 0 17 274.448 0 ↓

Analogs

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Popular Name: Androst-5-en-3-ol, (3¦Â,14¦Â)- Androst-5-en-3-ol, (3¦Â,14¦Â)-

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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 -0.56 -1.89 1 1 0 20 274.448 0 ↓

Analogs

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Popular Name: Androst-5-en-3-ol, (3¦Â,14¦Â)- Androst-5-en-3-ol, (3¦Â,14¦Â)-

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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 -0.47 -1.8 1 1 0 20 274.448 0 ↓

Analogs

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Popular Name: Androst-5-en-3-ol, (3¦Â,14¦Â)- Androst-5-en-3-ol, (3¦Â,14¦Â)-

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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 0.42 -1.53 1 1 0 20 274.448 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Androst-5-en-3-ol, (3¦Â,14¦Â)- Androst-5-en-3-ol, (3¦Â,14¦Â)-

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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 -0.18 -1.55 1 1 0 20 274.448 0 ↓

Analogs

5188397
5188397
5188450
5188450
5842916
5842916
3978676
3978676
3978677
3978677

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Popular Name: Androst-5-en-3-one Androst-5-en-3-one

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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) 4.39 10.13 -5.42 0 1 0 17 272.432 0 ↓

Analogs

5188397
5188397
5188450
5188450
5842916
5842916
3978676
3978676
3978677
3978677

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Popular Name: Androst-5-en-3-one Androst-5-en-3-one

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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) 4.39 10.3 -5.48 0 1 0 17 272.432 0 ↓

Analogs

1691405
1691405
2113559
2113559
3869630
3869630

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Popular Name: Androst-5-en-3-one Androst-5-en-3-one

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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) 4.39 10.25 -5.72 0 1 0 17 272.432 0 ↓

Analogs

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Popular Name: Androst-16-en-3-ol, (3a,5a)- Androst-16-en-3-ol, (3a,5a)-

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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) 4.51 7.69 -2.04 1 1 0 20 274.448 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Androst-16-en-3-ol, (3a,5a)- Androst-16-en-3-ol, (3a,5a)-

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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) 4.51 7.66 -2.2 1 1 0 20 274.448 0 ↓

Analogs

4352598
4352598
4758337
4758337
5275811
5275811
5275908
5275908
5276646
5276646

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Popular Name: Androst-16-en-3-ol, (3a,5a)- Androst-16-en-3-ol, (3a,5a)-

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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) 4.51 -0.21 -2.04 1 1 0 20 274.448 0 ↓

Analogs

4758337
4758337
5275811
5275811
5275908
5275908
5276646
5276646
5276735
5276735

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Popular Name: 5Alpha-androst-16-en-3alpha-ol 5Alpha-androst-16-en-3alpha-ol

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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) 4.51 7.69 -2.28 1 1 0 20 274.448 0 ↓

Analogs

5276735
5276735
5275811
5275811
5275908
5275908
4352598
4352598

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Popular Name: 5a-Androst-16-en-3b-ol 5a-Androst-16-en-3b-ol

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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) 4.51 -0.4 -2.02 1 1 0 20 274.448 0 ↓

Analogs

5275811
5275811
5275908
5275908
5276646
5276646

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Popular Name: 5a-Androst-16-en-3b-ol 5a-Androst-16-en-3b-ol

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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) 4.51 -0.51 -1.99 1 1 0 20 274.448 0 ↓

Analogs

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Popular Name: 5¦Á-Androst-16-en-3¦Â-ol 5¦Á-Androst-16-en-3¦Â-ol

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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) 4.51 7.73 -2.09 1 1 0 20 274.448 0 ↓

Analogs

5275811
5275811
5275908
5275908
5276646
5276646
5276735
5276735
4352597
4352597

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Popular Name: 5a-Androst-16-en-3b-ol 5a-Androst-16-en-3b-ol

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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) 4.51 -0.49 -2.02 1 1 0 20 274.448 0 ↓

Analogs

4529306
4529306
4529307
4529307
4352601
4352601
4352602
4352602

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Popular Name: Androst-16-en-3-one Androst-16-en-3-one

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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) 4.32 2.28 -4.59 0 1 0 17 272.432 0 ↓

Analogs

4352601
4352601
4352602
4352602

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Popular Name: Androst-16-en-3-one Androst-16-en-3-one

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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) 4.32 2.2 -4.83 0 1 0 17 272.432 0 ↓

Analogs

4352602
4352602
4529304
4529304
4529305
4529305
4529306
4529306
4529307
4529307

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Popular Name: Androst-16-en-3-one Androst-16-en-3-one

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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) 4.32 10.22 -4.66 0 1 0 17 272.432 0 ↓

Analogs

4529304
4529304
4529305
4529305
4529306
4529306
4529307
4529307
4352601
4352601

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Popular Name: 5Alpha-androst-16-en-3-one 5Alpha-androst-16-en-3-one

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And 3 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) 4.32 10.02 -4.92 0 1 0 17 272.432 0 ↓

Analogs

6067825
6067825

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Popular Name: Androsta-4,16-dien-3-one Androsta-4,16-dien-3-one

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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 10.07 -5.87 0 1 0 17 270.416 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Androsta-4,16-dien-3-one Androsta-4,16-dien-3-one

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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) 4.14 10.08 -5.67 0 1 0 17 270.416 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Androsta-4,16-dien-3-one Androsta-4,16-dien-3-one

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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) 4.14 10.31 -6.29 0 1 0 17 270.416 0 ↓

Analogs

16990836
16990836
17013970
17013970

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Popular Name: Androsta-4,16-dien-3-one Androsta-4,16-dien-3-one

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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) 4.14 10.12 -6.14 0 1 0 17 270.416 0 ↓

Analogs

39258354
39258354
39258355
39258355
39258356
39258356
39258357
39258357
39274001
39274001

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Popular Name: 1-p-Tolyl-3-aza-bicyclo[3.1.0]hexane-2,4-dione 1-p-Tolyl-3-aza-bicyclo[3.1.0]he…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.33 4.1 -8.44 1 3 0 46 201.225 1 ↓
Hi High (pH 8-9.5) 1.51 2.36 -41.63 0 3 -1 52 200.217 1 ↓

Analogs

39258354
39258354
39258355
39258355
39258356
39258356
39258357
39258357
39274001
39274001

Draw Identity 99% 90% 80% 70%

Popular Name: 1-p-Tolyl-3-aza-bicyclo[3.1.0]hexane-2,4-dione 1-p-Tolyl-3-aza-bicyclo[3.1.0]he…

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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) 1.33 4.1 -8.43 1 3 0 46 201.225 1 ↓
Hi High (pH 8-9.5) 1.51 2.36 -41.67 0 3 -1 52 200.217 1 ↓

Analogs

13821324
13821324
13821326
13821326
22011064
22011064
22011068
22011068
1692920
1692920

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Popular Name: 3-Azabicyclo[3.1.0]hexane-2,4-dione, 1-phenyl- 3-Azabicyclo[3.1.0]hexane-2,4-di…

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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) 0.88 3.46 -8.26 1 3 0 46 187.198 1 ↓
Mid Mid (pH 6-8) 1.06 0.91 -43.57 0 3 -1 52 186.19 1 ↓

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page.num = 1
catalog.name = fragmenta
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 'fragmenta' 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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