UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-N,N-dipropyl-acetamide 2-[(2-phenyl-5,6,7,8-tetrahydroq…

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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) 4.61 12.09 -9.41 1 5 0 58 366.509 8 ↓
Mid Mid (pH 6-8) 4.61 12.39 -27.5 2 5 1 59 367.517 8 ↓

Analogs

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Popular Name: 3-ethyl-5-[1-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]imidazol-2-yl]isoxazole 3-ethyl-5-[1-[(4-methyl-5,6,7,8-…

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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) 2.90 9.52 -11.42 0 6 0 70 323.4 4 ↓
Mid Mid (pH 6-8) 2.90 10.08 -33.74 1 6 1 71 324.408 4 ↓

Analogs

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Popular Name: 5-(imidazol-1-ylmethyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]furan-2-carboxamide 5-(imidazol-1-ylmethyl)-N-[(4-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) 1.47 8.73 -42.86 2 7 1 87 352.418 5 ↓
Mid Mid (pH 6-8) 1.47 8.22 -16 1 7 0 86 351.41 5 ↓

Analogs

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Popular Name: 4-chloro-2-(2-thienylmethyl)-5,6,7,8-tetrahydroquinazoline 4-chloro-2-(2-thienylmethyl)-5,6…

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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 8 -5.63 0 2 0 26 264.781 2 ↓

Analogs

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Popular Name: (5S)-2-(2-thienylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5S)-2-(2-thienylmethyl)-5,6,7,8…

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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) 0.27 4.95 -51.94 3 3 1 53 246.359 2 ↓
Mid Mid (pH 6-8) 0.27 4.63 -5.68 2 3 0 52 245.351 2 ↓

Analogs

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Popular Name: (5R)-2-(2-thienylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5R)-2-(2-thienylmethyl)-5,6,7,8…

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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) 0.27 4.95 -52.42 3 3 1 53 246.359 2 ↓
Mid Mid (pH 6-8) 0.27 4.62 -6.59 2 3 0 52 245.351 2 ↓

Analogs

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Popular Name: (5R)-7,7-dimethyl-2-(2-thienylmethyl)-6,8-dihydro-5H-quinazolin-5-amine (5R)-7,7-dimethyl-2-(2-thienylme…

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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 5.81 -51.8 3 3 1 53 274.413 2 ↓
Mid Mid (pH 6-8) 1.16 5.49 -6.22 2 3 0 52 273.405 2 ↓

Analogs

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Popular Name: (5S)-7,7-dimethyl-2-(2-thienylmethyl)-6,8-dihydro-5H-quinazolin-5-amine (5S)-7,7-dimethyl-2-(2-thienylme…

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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 5.81 -52.43 3 3 1 53 274.413 2 ↓
Mid Mid (pH 6-8) 1.16 5.49 -5.31 2 3 0 52 273.405 2 ↓

Analogs

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Popular Name: (5R)-N-methyl-2-(2-thienylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5R)-N-methyl-2-(2-thienylmethyl…

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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 6.69 -45.27 2 3 1 42 260.386 3 ↓
Hi High (pH 8-9.5) 1.62 5.37 -5.75 1 3 0 38 259.378 3 ↓

Analogs

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Popular Name: (5S)-N-methyl-2-(2-thienylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5S)-N-methyl-2-(2-thienylmethyl…

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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 6.69 -45.77 2 3 1 42 260.386 3 ↓
Hi High (pH 8-9.5) 1.62 5.62 -5.54 1 3 0 38 259.378 3 ↓

Analogs

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Popular Name: (5R)-N-ethyl-2-(2-thienylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5R)-N-ethyl-2-(2-thienylmethyl)…

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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) 2.00 7.52 -43.87 2 3 1 42 274.413 4 ↓
Hi High (pH 8-9.5) 2.00 6.29 -5.55 1 3 0 38 273.405 4 ↓

Analogs

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Popular Name: (5S)-N-ethyl-2-(2-thienylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5S)-N-ethyl-2-(2-thienylmethyl)…

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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) 2.00 7.52 -44.27 2 3 1 42 274.413 4 ↓
Hi High (pH 8-9.5) 2.00 6.56 -5.31 1 3 0 38 273.405 4 ↓

Analogs

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Popular Name: (5R)-N-propyl-2-(2-thienylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5R)-N-propyl-2-(2-thienylmethyl…

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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) 2.50 8.28 -44.62 2 3 1 42 288.44 5 ↓
Hi High (pH 8-9.5) 2.50 7.04 -5.43 1 3 0 38 287.432 5 ↓

Analogs

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Popular Name: (5S)-N-propyl-2-(2-thienylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5S)-N-propyl-2-(2-thienylmethyl…

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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) 2.50 8.28 -45.03 2 3 1 42 288.44 5 ↓
Hi High (pH 8-9.5) 2.50 7.31 -5.26 1 3 0 38 287.432 5 ↓

Analogs

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Popular Name: (5R)-N,7,7-trimethyl-2-(2-thienylmethyl)-6,8-dihydro-5H-quinazolin-5-amine (5R)-N,7,7-trimethyl-2-(2-thieny…

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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 7.56 -45.47 2 3 1 42 288.44 3 ↓
Hi High (pH 8-9.5) 2.51 6.5 -5.09 1 3 0 38 287.432 3 ↓

Analogs

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Popular Name: (5S)-N,7,7-trimethyl-2-(2-thienylmethyl)-6,8-dihydro-5H-quinazolin-5-amine (5S)-N,7,7-trimethyl-2-(2-thieny…

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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 7.57 -46.06 2 3 1 42 288.44 3 ↓
Hi High (pH 8-9.5) 2.51 6.24 -5.29 1 3 0 38 287.432 3 ↓

Analogs

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Popular Name: (5R)-N-ethyl-7,7-dimethyl-2-(2-thienylmethyl)-6,8-dihydro-5H-quinazolin-5-amine (5R)-N-ethyl-7,7-dimethyl-2-(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) 2.88 8.38 -43.89 2 3 1 42 302.467 4 ↓
Hi High (pH 8-9.5) 2.88 7.16 -5.17 1 3 0 38 301.459 4 ↓

Analogs

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Popular Name: (5S)-N-ethyl-7,7-dimethyl-2-(2-thienylmethyl)-6,8-dihydro-5H-quinazolin-5-amine (5S)-N-ethyl-7,7-dimethyl-2-(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) 2.88 8.38 -44.46 2 3 1 42 302.467 4 ↓
Hi High (pH 8-9.5) 2.88 7.42 -4.97 1 3 0 38 301.459 4 ↓

Analogs

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Popular Name: 2-(2-thienylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine 2-(2-thienylmethyl)-5,6,7,8-tetr…

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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) 2.98 6.52 -7.02 2 3 0 52 245.351 2 ↓
Mid Mid (pH 6-8) 2.98 6.99 -27.96 3 3 1 53 246.359 2 ↓

Analogs

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Popular Name: N-methyl-2-(2-thienylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine N-methyl-2-(2-thienylmethyl)-5,6…

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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) 3.35 8.16 -27.13 2 3 1 39 260.386 3 ↓
Mid Mid (pH 6-8) 3.35 7.68 -7.34 1 3 0 38 259.378 3 ↓

Analogs

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Popular Name: N-ethyl-2-(2-thienylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine N-ethyl-2-(2-thienylmethyl)-5,6,…

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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) 3.73 8.99 -26.7 2 3 1 39 274.413 4 ↓
Mid Mid (pH 6-8) 3.73 8.51 -6.85 1 3 0 38 273.405 4 ↓

Analogs

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Popular Name: N-propyl-2-(2-thienylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine N-propyl-2-(2-thienylmethyl)-5,6…

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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) 4.23 9.74 -26.79 2 3 1 39 288.44 5 ↓
Mid Mid (pH 6-8) 4.23 9.27 -6.73 1 3 0 38 287.432 5 ↓

Analogs

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Popular Name: [2-(2-thienylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine [2-(2-thienylmethyl)-5,6,7,8-tet…

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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) 2.74 6.36 -7.69 3 4 0 64 260.366 3 ↓

Analogs

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Popular Name: (5S)-2-(4-propoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5S)-2-(4-propoxyphenyl)-5,6,7,8…

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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 6.53 -53.58 3 4 1 63 284.383 4 ↓
Mid Mid (pH 6-8) 1.35 6.22 -6.33 2 4 0 61 283.375 4 ↓

Analogs

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Popular Name: (5R)-2-(4-propoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5R)-2-(4-propoxyphenyl)-5,6,7,8…

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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 6.53 -53.59 3 4 1 63 284.383 4 ↓
Mid Mid (pH 6-8) 1.35 6.21 -7.32 2 4 0 61 283.375 4 ↓

Analogs

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Popular Name: 2-(4-propoxyphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine 2-(4-propoxyphenyl)-5,6,7,8-tetr…

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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) 4.06 8.11 -7.71 2 4 0 61 283.375 4 ↓
Mid Mid (pH 6-8) 4.06 8.42 -25.99 3 4 1 62 284.383 4 ↓

Analogs

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Popular Name: (5S)-2-(3-propoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5S)-2-(3-propoxyphenyl)-5,6,7,8…

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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 6.54 -53.44 3 4 1 63 284.383 4 ↓
Mid Mid (pH 6-8) 1.33 6.22 -7.64 2 4 0 61 283.375 4 ↓

Analogs

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Popular Name: (5R)-2-(3-propoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine (5R)-2-(3-propoxyphenyl)-5,6,7,8…

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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 6.54 -53.41 3 4 1 63 284.383 4 ↓
Mid Mid (pH 6-8) 1.33 6.22 -8.6 2 4 0 61 283.375 4 ↓

Analogs

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Popular Name: 2-(3-propoxyphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine 2-(3-propoxyphenyl)-5,6,7,8-tetr…

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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) 4.04 8.11 -9.04 2 4 0 61 283.375 4 ↓
Mid Mid (pH 6-8) 4.04 8.41 -26.75 3 4 1 62 284.383 4 ↓

Analogs

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Popular Name: 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline 4-chloro-2-(trifluoromethyl)-5,6…

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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) 3.21 1.25 -5.02 0 2 0 26 236.624 1 ↓

Analogs

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Popular Name: 3-allyl-1-[(5R)-7,7-dimethyl-2-morpholino-6,8-dihydro-5H-quinazolin-5-yl]urea 3-allyl-1-[(5R)-7,7-dimethyl-2-m…

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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 -6.26 -12.07 2 7 0 79 345.447 4 ↓

Analogs

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Popular Name: 3-allyl-1-[(5S)-7,7-dimethyl-2-morpholino-6,8-dihydro-5H-quinazolin-5-yl]urea 3-allyl-1-[(5S)-7,7-dimethyl-2-m…

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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 -6.26 -11.91 2 7 0 79 345.447 4 ↓

Analogs

11813336
11813336

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Popular Name: [1-[(5R)-5-(2,3-dihydrobenzofuran-5-ylmethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-4-piperidyl]me [1-[(5R)-5-(2,3-dihydrobenzofura…

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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) 2.18 -6.21 -55.13 3 6 1 75 395.527 5 ↓

Analogs

11813335
11813335

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Popular Name: [1-[(5S)-5-(2,3-dihydrobenzofuran-5-ylmethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-4-piperidyl]me [1-[(5S)-5-(2,3-dihydrobenzofura…

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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) 2.18 -6.21 -55.32 3 6 1 75 395.527 5 ↓

Analogs

11814602
11814602

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Popular Name: N-[(5R)-7,7-dimethyl-2-morpholino-6,8-dihydro-5H-quinazolin-5-yl]-2-methyl-benzamide N-[(5R)-7,7-dimethyl-2-morpholin…

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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) 2.78 -3.74 -11.64 1 6 0 67 380.492 3 ↓

Analogs

11814599
11814599

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Popular Name: N-[(5S)-7,7-dimethyl-2-morpholino-6,8-dihydro-5H-quinazolin-5-yl]-2-methyl-benzamide N-[(5S)-7,7-dimethyl-2-morpholin…

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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) 2.78 -3.74 -11.41 1 6 0 67 380.492 3 ↓

Analogs

11814643
11814643

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Popular Name: 1-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(2-thienyl)urea 1-[(5S)-2-(3-pyridyl)-5,6,7,8-te…

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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) 1.83 -4.55 -14.35 2 6 0 80 351.435 3 ↓

Analogs

11814642
11814642

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Popular Name: 1-[(5R)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(2-thienyl)urea 1-[(5R)-2-(3-pyridyl)-5,6,7,8-te…

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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) 1.83 -4.54 -14.27 2 6 0 80 351.435 3 ↓

Analogs

11814647
11814647

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Popular Name: N-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]pyridine-4-carboxamide N-[(5S)-2-(3-pyridyl)-5,6,7,8-te…

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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) 0.44 -3 -14.34 1 6 0 81 331.379 3 ↓

Analogs

11814644
11814644

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5R)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]pyridine-4-carboxamide N-[(5R)-2-(3-pyridyl)-5,6,7,8-te…

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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) 0.44 -3 -14.32 1 6 0 81 331.379 3 ↓

Analogs

11814785
11814785

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Popular Name: 2-(2-oxooxazolidin-3-yl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide 2-(2-oxooxazolidin-3-yl)-N-[(5S)…

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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 -2.12 -25.35 1 7 0 84 352.394 4 ↓

Analogs

11814783
11814783

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Popular Name: 2-(2-oxooxazolidin-3-yl)-N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide 2-(2-oxooxazolidin-3-yl)-N-[(5R)…

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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 -2.12 -21.58 1 7 0 84 352.394 4 ↓

Analogs

11814902
11814902

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Popular Name: N-[(5R)-2-[4-(hydroxymethyl)-1-piperidyl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-methyl-furan-3-carbox N-[(5R)-2-[4-(hydroxymethyl)-1-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) 0.96 -5.3 -13.4 2 7 0 91 370.453 4 ↓

Analogs

11814899
11814899

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Popular Name: N-[(5S)-2-[4-(hydroxymethyl)-1-piperidyl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-methyl-furan-3-carbox N-[(5S)-2-[4-(hydroxymethyl)-1-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) 0.96 -5.3 -13.35 2 7 0 91 370.453 4 ↓

Analogs

11815631
11815631

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Popular Name: N-[(5R)-7,7-dimethyl-2-morpholino-6,8-dihydro-5H-quinazolin-5-yl]-6-methyl-pyridine-2-carboxamide N-[(5R)-7,7-dimethyl-2-morpholin…

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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 -4.81 -11.79 1 7 0 80 381.48 3 ↓

Analogs

11815629
11815629

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Popular Name: N-[(5S)-7,7-dimethyl-2-morpholino-6,8-dihydro-5H-quinazolin-5-yl]-6-methyl-pyridine-2-carboxamide N-[(5S)-7,7-dimethyl-2-morpholin…

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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 -4.81 -11.72 1 7 0 80 381.48 3 ↓

Analogs

11815753
11815753

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Popular Name: 3-methylsulfanyl-N-[(5R)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide 3-methylsulfanyl-N-[(5R)-2-(3-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.82 -2.89 -12.1 1 5 0 68 328.441 5 ↓

Analogs

11815752
11815752

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Popular Name: 3-methylsulfanyl-N-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide 3-methylsulfanyl-N-[(5S)-2-(3-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.82 -2.88 -12.1 1 5 0 68 328.441 5 ↓

Analogs

11816090
11816090

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Popular Name: [1-[(5R)-5-[(3-chlorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]-4-piperidyl]methanol [1-[(5R)-5-[(3-chlorophenyl)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) 2.81 -5.66 -53.29 3 5 1 66 387.935 5 ↓

Analogs

11816089
11816089

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Popular Name: [1-[(5S)-5-[(3-chlorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]-4-piperidyl]methanol [1-[(5S)-5-[(3-chlorophenyl)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) 2.81 -5.66 -53.46 3 5 1 66 387.935 5 ↓

Parameters Provided:

ring.id = 14476
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 = 14476 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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