UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methyl-3-(4-nitrophenyl)urea 1-[[(2R)-4-ethyl-2,3-dihydro-1,4…

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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 9.82 -13.68 1 8 0 91 370.409 5 ↓

Analogs

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Popular Name: 1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methyl-3-(4-nitrophenyl)urea 1-[[(2S)-4-ethyl-2,3-dihydro-1,4…

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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 9.94 -17.55 1 8 0 91 370.409 5 ↓

Analogs

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Popular Name: (9-carbamoyl-10-oxa-7-azabicyclo[4.4.0]deca-1,3,5-trien-7-yl)carbonylmethyl (9-carbamoyl-10-oxa-7-azabicyclo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 -0.53 -19.16 2 8 0 108 418.833 7 ↓

Analogs

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Popular Name: (9-carbamoyl-10-oxa-7-azabicyclo[4.4.0]deca-1,3,5-trien-7-yl)carbonylmethyl (9-carbamoyl-10-oxa-7-azabicyclo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 -0.52 -19.22 2 8 0 108 418.833 7 ↓

Analogs

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Popular Name: (9-carbamoyl-10-oxa-7-azabicyclo[4.4.0]deca-1,3,5-trien-7-yl)carbonylmethyl (9-carbamoyl-10-oxa-7-azabicyclo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 -0.43 -19.12 2 8 0 108 418.833 7 ↓

Analogs

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Popular Name: (9-carbamoyl-10-oxa-7-azabicyclo[4.4.0]deca-1,3,5-trien-7-yl)carbonylmethyl (9-carbamoyl-10-oxa-7-azabicyclo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 -0.44 -19.1 2 8 0 108 418.833 7 ↓

Analogs

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Popular Name: (9-carbamoyl-10-oxa-7-azabicyclo[4.4.0]deca-1,3,5-trien-7-yl)carbonylmethyl (9-carbamoyl-10-oxa-7-azabicyclo…

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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) 2.60 -0.38 -19.45 2 8 0 108 410.426 8 ↓

Analogs

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Popular Name: (9-carbamoyl-10-oxa-7-azabicyclo[4.4.0]deca-1,3,5-trien-7-yl)carbonylmethyl (9-carbamoyl-10-oxa-7-azabicyclo…

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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) 2.60 -0.37 -19.45 2 8 0 108 410.426 8 ↓

Analogs

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Popular Name: [9-(methylcarbamoyl)-10-oxa-7-azabicyclo[4.4.0]deca-1,3,5-trien-7-yl]carbonylmethyl [9-(methylcarbamoyl)-10-oxa-7-az…

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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) 2.97 0.5 -19.12 1 8 0 94 424.453 8 ↓

Analogs

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Popular Name: [9-(methylcarbamoyl)-10-oxa-7-azabicyclo[4.4.0]deca-1,3,5-trien-7-yl]carbonylmethyl [9-(methylcarbamoyl)-10-oxa-7-az…

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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) 2.97 0.57 -19.04 1 8 0 94 424.453 8 ↓

Analogs

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Popular Name: N-[[(2S)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methyl]-N-ethyl-3-methyl-aniline N-[[(2S)-3,4-dihydro-2H-1,4-benz…

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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) 4.18 8.67 -6.98 1 3 0 24 282.387 4 ↓

Analogs

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Popular Name: N-[[(2R)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methyl]-N-ethyl-3-methyl-aniline N-[[(2R)-3,4-dihydro-2H-1,4-benz…

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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) 4.18 8.66 -6.34 1 3 0 24 282.387 4 ↓

Analogs

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Popular Name: (2S)-N-(3-methoxypropyl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2S)-N-(3-methoxypropyl)-N-methy…

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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) 1.26 4.44 -14.55 1 5 0 51 264.325 5 ↓

Analogs

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Popular Name: (2R)-N-(3-methoxypropyl)-N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2R)-N-(3-methoxypropyl)-N-methy…

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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) 1.26 4.42 -15.19 1 5 0 51 264.325 5 ↓

Analogs

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Popular Name: [(2S)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-(4-propyl-1-piperidyl)methanone [(2S)-3,4-dihydro-2H-1,4-benzoxa…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.40 7.61 -12.51 1 4 0 42 288.391 3 ↓

Analogs

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Popular Name: [(2R)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]-(4-propyl-1-piperidyl)methanone [(2R)-3,4-dihydro-2H-1,4-benzoxa…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.40 7.63 -12.25 1 4 0 42 288.391 3 ↓

Analogs

42425434
42425434
42425435
42425435

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Popular Name: N-[[(2S)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methyl]-3-methoxy-N-methyl-propan-1-amine N-[[(2S)-3,4-dihydro-2H-1,4-benz…

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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) 1.94 5.15 -39.51 2 4 1 35 251.35 6 ↓
Mid Mid (pH 6-8) 1.94 2.76 -7.02 1 4 0 34 250.342 6 ↓

Analogs

42425434
42425434
42425435
42425435

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Popular Name: N-[[(2R)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methyl]-3-methoxy-N-methyl-propan-1-amine N-[[(2R)-3,4-dihydro-2H-1,4-benz…

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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) 1.94 5.16 -39.27 2 4 1 35 251.35 6 ↓
Mid Mid (pH 6-8) 1.94 2.81 -7.04 1 4 0 34 250.342 6 ↓

Analogs

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Popular Name: (2S)-2-[(4-propyl-1-piperidyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine (2S)-2-[(4-propyl-1-piperidyl)me…

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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) 4.08 8.56 -36.9 2 3 1 26 275.416 4 ↓
Hi High (pH 8-9.5) 4.08 6.27 -5.04 1 3 0 24 274.408 4 ↓

Analogs

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Popular Name: (2R)-2-[(4-propyl-1-piperidyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine (2R)-2-[(4-propyl-1-piperidyl)me…

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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) 4.08 8.6 -36.77 2 3 1 26 275.416 4 ↓
Hi High (pH 8-9.5) 4.08 6.35 -5.09 1 3 0 24 274.408 4 ↓

Analogs

45619520
45619520
45631172
45631172
45631173
45631173
32854565
32854565
32854567
32854567

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Popular Name: (2S)-4-[2-(2,5-dichlorophenoxy)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2S)-4-[2-(2,5-dichlorophenoxy)a…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.29 8.23 -20.72 1 6 0 68 395.242 4 ↓

Analogs

45631172
45631172
45631173
45631173
45619517
45619517
32854565
32854565
32854567
32854567

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Popular Name: (2R)-4-[2-(2,5-dichlorophenoxy)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (2R)-4-[2-(2,5-dichlorophenoxy)a…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.29 8.17 -20.89 1 6 0 68 395.242 4 ↓

Analogs

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Popular Name: (2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1,4-benzoxazine (2S)-2-(5-methyl-1H-1,2,4-triazo…

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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) 0.89 3.08 -10.61 2 5 0 63 216.244 1 ↓

Analogs

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Popular Name: (2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1,4-benzoxazine (2R)-2-(5-methyl-1H-1,2,4-triazo…

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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) 0.89 3.08 -10.62 2 5 0 63 216.244 1 ↓

Analogs

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Popular Name: (2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1,4-benzoxazine (2S)-2-(5-ethyl-1H-1,2,4-triazol…

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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) 1.47 3.7 -10.03 2 5 0 63 230.271 2 ↓

Analogs

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Popular Name: (2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1,4-benzoxazine (2R)-2-(5-ethyl-1H-1,2,4-triazol…

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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) 1.47 3.7 -9.95 2 5 0 63 230.271 2 ↓

Analogs

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Popular Name: 3-methoxypropyl 3-methoxypropyl

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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) 1.77 4.74 -9.05 1 5 0 57 251.282 6 ↓

Analogs

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Popular Name: 3-methoxypropyl 3-methoxypropyl

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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) 1.77 4.74 -9.04 1 5 0 57 251.282 6 ↓

Analogs

40952511
40952511
40952513
40952513
40952515
40952515
40952517
40952517

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Popular Name: cyclohexyl cyclohexyl

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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) 3.42 7.51 -8.44 1 4 0 48 261.321 3 ↓

Analogs

40952511
40952511
40952513
40952513
40952515
40952515
40952517
40952517

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Popular Name: cyclohexyl cyclohexyl

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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) 3.42 7.51 -8.39 1 4 0 48 261.321 3 ↓

Analogs

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Popular Name: cyclopentyl cyclopentyl

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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) 2.91 6.87 -8.39 1 4 0 48 247.294 3 ↓

Analogs

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Popular Name: cyclopentyl cyclopentyl

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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) 2.91 6.87 -8.43 1 4 0 48 247.294 3 ↓

Analogs

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Popular Name: benzyl benzyl

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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) 3.11 7.91 -8.84 1 4 0 48 269.3 4 ↓

Analogs

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Popular Name: benzyl benzyl

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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) 3.11 7.91 -8.85 1 4 0 48 269.3 4 ↓

Analogs

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Popular Name: [(1R)-1,3-dimethylbutyl] [(1R)-1,3-dimethylbutyl]

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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) 3.53 7.65 -8.4 1 4 0 48 263.337 5 ↓

Analogs

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Popular Name: [(1S)-1,3-dimethylbutyl] [(1S)-1,3-dimethylbutyl]

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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) 3.53 7.64 -8.33 1 4 0 48 263.337 5 ↓

Analogs

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Popular Name: [(1R)-1,3-dimethylbutyl] [(1R)-1,3-dimethylbutyl]

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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) 3.53 7.65 -8.3 1 4 0 48 263.337 5 ↓

Analogs

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Popular Name: [(1S)-1,3-dimethylbutyl] [(1S)-1,3-dimethylbutyl]

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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) 3.53 7.64 -8.44 1 4 0 48 263.337 5 ↓

Analogs

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Popular Name: 2-ethoxyethyl 2-ethoxyethyl

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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) 1.69 5.06 -9.31 1 5 0 57 251.282 6 ↓

Analogs

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Popular Name: 2-ethoxyethyl 2-ethoxyethyl

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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) 1.69 5.06 -9.82 1 5 0 57 251.282 6 ↓

Analogs

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Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]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) 2.39 6.16 -9.45 1 5 0 57 277.32 4 ↓

Analogs

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Popular Name: [(2S)-tetrahydropyran-2-yl]methyl [(2S)-tetrahydropyran-2-yl]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) 2.39 6.16 -8.89 1 5 0 57 277.32 4 ↓

Analogs

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Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]methyl

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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) 2.39 6.16 -8.9 1 5 0 57 277.32 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R)-tetrahydropyran-2-yl]methyl [(2R)-tetrahydropyran-2-yl]methyl

Find On: PubMed — Wikipedia — Google

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) 2.39 6.16 -9.45 1 5 0 57 277.32 4 ↓

Analogs

40953387
40953387
40953389
40953389
40953391
40953391
40953393
40953393

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Popular Name: (4-methylcyclohexyl) (4-methylcyclohexyl)

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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) 3.19 8.11 -8.09 1 4 0 48 275.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-methylcyclohexyl) (4-methylcyclohexyl)

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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) 3.19 8.11 -8.24 1 4 0 48 275.348 3 ↓

Analogs

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Popular Name: [(1S,2R)-2-methylcyclohexyl] [(1S,2R)-2-methylcyclohexyl]

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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) 3.66 8.12 -8.2 1 4 0 48 275.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S)-2-methylcyclohexyl] [(1S,2S)-2-methylcyclohexyl]

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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) 3.66 8.11 -8.43 1 4 0 48 275.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2R)-2-methylcyclohexyl] [(1R,2R)-2-methylcyclohexyl]

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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) 3.66 8.11 -8.34 1 4 0 48 275.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,2S)-2-methylcyclohexyl] [(1R,2S)-2-methylcyclohexyl]

Find On: PubMed — Wikipedia — Google

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) 3.66 8.12 -8.08 1 4 0 48 275.348 3 ↓

Parameters Provided:

ring.id = 3211
filter.purchasability = annotated
page.format = targets
page.num = 1

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 INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 3211 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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