UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(6-chloro-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl]propane-1-sulfonamide N-[(6-chloro-4-pyrrolidin-1-yl-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) 2.74 -7.76 -12.41 1 6 0 75 368.89 6 ↓

Analogs

3927035
3927035

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Popular Name: 4-pyrrolidin-1-yl-2-(trifluoromethyl)quinazoline 4-pyrrolidin-1-yl-2-(trifluorome…

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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) 3.17 0.16 -7.83 0 3 0 29 267.254 2 ↓

Analogs

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Popular Name: N-[(8-methyl-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl]methanesulfonamide N-[(8-methyl-4-pyrrolidin-1-yl-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) 1.61 -7.2 -14.97 1 6 0 75 320.418 4 ↓

Analogs

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Popular Name: 1-quinazolin-4-ylpyrrolidine-2-carboxylic acid 1-quinazolin-4-ylpyrrolidine-2-c…

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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) -0.06 8.71 -30.22 1 5 0 70 243.266 2 ↓

Analogs

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Popular Name: 1-quinazolin-4-ylpyrrolidine-2-carboxylic acid 1-quinazolin-4-ylpyrrolidine-2-c…

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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) -0.06 8.56 -27.76 1 5 0 70 243.266 2 ↓

Analogs

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Popular Name: 7-chloro-4-pyrrolidin-1-yl-quinazoline 7-chloro-4-pyrrolidin-1-yl-quina…

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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) 2.82 7.06 -4.76 0 3 0 29 233.702 1 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-quinazolin-4-yl-pyrrolidine-3-carboxylic (3S)-3-methyl-1-quinazolin-4-yl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 9.07 -49.38 1 5 0 70 257.293 2 ↓
Mid Mid (pH 6-8) 1.76 8.11 -44.79 0 5 -1 69 256.285 2 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-quinazolin-4-yl-pyrrolidine-3-carboxylic (3R)-3-methyl-1-quinazolin-4-yl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 9.05 -39.33 1 5 0 70 257.293 2 ↓
Mid Mid (pH 6-8) 1.76 8.15 -48.67 0 5 -1 69 256.285 2 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-quinazolin-4-yl-pyrrolidine-3-carboxylic (3S)-3-ethyl-1-quinazolin-4-yl-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) 2.09 9.63 -49.89 1 5 0 70 271.32 3 ↓
Mid Mid (pH 6-8) 2.09 8.61 -43.94 0 5 -1 69 270.312 3 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-quinazolin-4-yl-pyrrolidine-3-carboxylic (3R)-3-ethyl-1-quinazolin-4-yl-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) 2.09 9.54 -48.11 1 5 0 70 271.32 3 ↓
Mid Mid (pH 6-8) 2.09 8.69 -46.48 0 5 -1 69 270.312 3 ↓

Analogs

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Popular Name: (3S)-3-propyl-1-quinazolin-4-yl-pyrrolidine-3-carboxylic (3S)-3-propyl-1-quinazolin-4-yl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.65 10.4 -49.95 1 5 0 70 285.347 4 ↓
Mid Mid (pH 6-8) 2.65 9.37 -44.2 0 5 -1 69 284.339 4 ↓

Analogs

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Popular Name: (3R)-3-propyl-1-quinazolin-4-yl-pyrrolidine-3-carboxylic (3R)-3-propyl-1-quinazolin-4-yl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.65 10.29 -38.18 1 5 0 70 285.347 4 ↓
Mid Mid (pH 6-8) 2.65 9.46 -46.74 0 5 -1 69 284.339 4 ↓

Analogs

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Popular Name: (3R)-1-(2-chloroquinazolin-4-yl)-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-(2-chloroquinazolin-4-yl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.91 8.07 -48.44 1 4 1 33 277.779 2 ↓
Mid Mid (pH 6-8) 2.91 5.66 -10.16 0 4 0 32 276.771 2 ↓

Analogs

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Popular Name: (3S)-1-(2-chloroquinazolin-4-yl)-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-(2-chloroquinazolin-4-yl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.91 8.07 -54.16 1 4 1 33 277.779 2 ↓
Mid Mid (pH 6-8) 2.91 5.7 -9.26 0 4 0 32 276.771 2 ↓

Analogs

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Popular Name: (3R)-1-(2-chloroquinazolin-4-yl)-N,N-diethyl-pyrrolidin-3-amine (3R)-1-(2-chloroquinazolin-4-yl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.66 9.1 -46.34 1 4 1 33 305.833 4 ↓
Mid Mid (pH 6-8) 3.66 6.97 -9.95 0 4 0 32 304.825 4 ↓

Analogs

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Popular Name: (3S)-1-(2-chloroquinazolin-4-yl)-N,N-diethyl-pyrrolidin-3-amine (3S)-1-(2-chloroquinazolin-4-yl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.66 9.73 -42.48 1 4 1 33 305.833 4 ↓
Mid Mid (pH 6-8) 3.66 7.05 -8.22 0 4 0 32 304.825 4 ↓

Analogs

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Popular Name: N,N-dimethyl-4-pyrrolidin-1-yl-quinazoline-6-carboxamide N,N-dimethyl-4-pyrrolidin-1-yl-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) 1.11 7.01 -11.47 0 5 0 49 270.336 2 ↓
Lo Low (pH 4.5-6) 1.11 8.14 -33.09 1 5 1 51 271.344 2 ↓
Lo Low (pH 4.5-6) 1.11 7.48 -34.85 1 5 1 51 271.344 2 ↓

Analogs

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Popular Name: N-isopropyl-4-pyrrolidin-1-yl-quinazoline-6-carboxamide N-isopropyl-4-pyrrolidin-1-yl-qu…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.01 7.13 -10.78 1 5 0 58 284.363 3 ↓
Lo Low (pH 4.5-6) 2.01 8.21 -32.29 2 5 1 59 285.371 3 ↓
Lo Low (pH 4.5-6) 2.01 7.58 -33.77 2 5 1 59 285.371 3 ↓

Analogs

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Popular Name: (3S)-1-[2-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-3-ol (3S)-1-[2-(trifluoromethyl)quina…

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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) 2.25 4.17 -12.67 1 4 0 49 283.253 2 ↓

Analogs

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Popular Name: (3S,4S)-1-[2-(2-aminoethyl)quinazolin-4-yl]-4-isopropoxy-pyrrolidin-3-ol (3S,4S)-1-[2-(2-aminoethyl)quina…

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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) 0.78 2.43 -47.35 4 6 1 86 317.413 5 ↓
Hi High (pH 8-9.5) 0.78 2.05 -10.26 3 6 0 85 316.405 5 ↓
Lo Low (pH 4.5-6) 0.78 3.65 -97.97 5 6 2 87 318.421 5 ↓

Analogs

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Popular Name: 6,7,8-trimethoxy-4-pyrrolidin-1-yl-quinazoline 6,7,8-trimethoxy-4-pyrrolidin-1-…

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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) 1.97 7.15 -9.4 0 6 0 57 289.335 4 ↓
Lo Low (pH 4.5-6) 1.97 7.64 -28.55 1 6 1 58 290.343 4 ↓

Analogs

3927035
3927035

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Popular Name: 2-isopropyl-4-pyrrolidin-1-yl-quinazoline 2-isopropyl-4-pyrrolidin-1-yl-qu…

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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) 3.31 8.35 -9.67 0 3 0 29 241.338 2 ↓
Mid Mid (pH 6-8) 3.31 8.85 -21.89 1 3 1 30 242.346 2 ↓

Analogs

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Popular Name: (2R,4R)-4-hydroxy-1-quinazolin-4-yl-pyrrolidine-2-carboxylic (2R,4R)-4-hydroxy-1-quinazolin-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) -0.97 5.19 -59.78 1 6 -1 89 258.257 2 ↓
Lo Low (pH 4.5-6) -0.97 5.65 -55.37 2 6 0 91 259.265 2 ↓

Analogs

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Popular Name: (2R,4S)-4-hydroxy-1-quinazolin-4-yl-pyrrolidine-2-carboxylic (2R,4S)-4-hydroxy-1-quinazolin-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) -0.97 5.19 -57.98 1 6 -1 89 258.257 2 ↓
Lo Low (pH 4.5-6) -0.97 5.65 -52.57 2 6 0 91 259.265 2 ↓

Analogs

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Popular Name: (2R,4R)-4-methoxy-1-quinazolin-4-yl-pyrrolidine-2-carboxylic (2R,4R)-4-methoxy-1-quinazolin-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) -0.36 7.62 -58.13 0 6 -1 78 272.284 3 ↓
Mid Mid (pH 6-8) -0.36 8.08 -52.93 1 6 0 80 273.292 3 ↓

Analogs

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Popular Name: (2R,4S)-4-methoxy-1-quinazolin-4-yl-pyrrolidine-2-carboxylic (2R,4S)-4-methoxy-1-quinazolin-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) -0.36 7.62 -55.88 0 6 -1 78 272.284 3 ↓
Mid Mid (pH 6-8) -0.36 8.08 -49.36 1 6 0 80 273.292 3 ↓

Analogs

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Popular Name: (2S,4R)-4-methoxy-1-quinazolin-4-yl-pyrrolidine-2-carboxylic (2S,4R)-4-methoxy-1-quinazolin-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) -0.36 7.53 -54.01 0 6 -1 78 272.284 3 ↓
Mid Mid (pH 6-8) -0.36 7.99 -49.54 1 6 0 80 273.292 3 ↓

Analogs

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Popular Name: (2S,4S)-4-methoxy-1-quinazolin-4-yl-pyrrolidine-2-carboxylic (2S,4S)-4-methoxy-1-quinazolin-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) -0.36 7.56 -59.2 0 6 -1 78 272.284 3 ↓
Mid Mid (pH 6-8) -0.36 8.02 -54.26 1 6 0 80 273.292 3 ↓

Analogs

42434566
42434566

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Popular Name: [(2R)-1-quinazolin-4-ylpyrrolidin-2-yl]methanol [(2R)-1-quinazolin-4-ylpyrrolidi…

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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 5.17 -9.04 1 4 0 49 229.283 2 ↓
Lo Low (pH 4.5-6) 1.52 5.64 -29.62 2 4 1 50 230.291 2 ↓

Analogs

42434565
42434565

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Popular Name: [(2S)-1-quinazolin-4-ylpyrrolidin-2-yl]methanol [(2S)-1-quinazolin-4-ylpyrrolidi…

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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 5.17 -9.03 1 4 0 49 229.283 2 ↓
Lo Low (pH 4.5-6) 1.52 5.63 -29.58 2 4 1 50 230.291 2 ↓

Parameters Provided:

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