In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 3rd, 2006 | 19 | Yes |
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) | 4.21 | 0.27 | -3.44 | 1 | 2 | 0 | 15 | 254.377 | 5 | ↓ |
Popular Name: 1,4-benzenediamine, N,N-diethyl-N'-[[4-(1-methylethyl)phenyl]methyl]- 1,4-benzenediamine, N,N-diethyl-…
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) | 5.56 | 1.07 | -2.91 | 1 | 2 | 0 | 15 | 296.458 | 7 | ↓ |
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) | 4.11 | 0.25 | -2.61 | 1 | 1 | 0 | 12 | 211.308 | 4 | ↓ |
Popular Name: N-[(4-dimethylaminophenyl)methyl]-3-isopropyl-aniline N-[(4-dimethylaminophenyl)methyl…
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) | 4.78 | 9.51 | -3.85 | 1 | 2 | 0 | 15 | 268.404 | 5 | ↓ |
Popular Name: N1-[(4-isopropylphenyl)methyl]-N1-methyl-benzene-1,3-diamine N1-[(4-isopropylphenyl)methyl]-N…
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) | 4.00 | 8.46 | -5.29 | 2 | 2 | 0 | 29 | 254.377 | 4 | ↓ |
Popular Name: N-[(3-aminophenyl)methyl]-4-isopropyl-N-methyl-aniline N-[(3-aminophenyl)methyl]-4-isop…
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) | 4.00 | 8.51 | -5.05 | 2 | 2 | 0 | 29 | 254.377 | 4 | ↓ |
Popular Name: N1-[(4-tert-butylphenyl)methyl]-N1-methyl-benzene-1,3-diamine N1-[(4-tert-butylphenyl)methyl]-…
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) | 4.20 | 8.85 | -5.31 | 2 | 2 | 0 | 29 | 268.404 | 4 | ↓ |
Popular Name: N-[(4-aminophenyl)methyl]-4-tert-butyl-N-methyl-aniline N-[(4-aminophenyl)methyl]-4-tert…
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) | 4.22 | 8.91 | -5.11 | 2 | 2 | 0 | 29 | 268.404 | 4 | ↓ |
Popular Name: N-[(3-aminophenyl)methyl]-4-tert-butyl-N-methyl-aniline N-[(3-aminophenyl)methyl]-4-tert…
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) | 4.20 | 8.91 | -4.98 | 2 | 2 | 0 | 29 | 268.404 | 4 | ↓ |
Popular Name: N1-[(4-tert-butylphenyl)methyl]-N4,N4-dimethyl-benzene-1,4-diamine N1-[(4-tert-butylphenyl)methyl]-…
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) | 5.00 | 9.92 | -3.73 | 1 | 2 | 0 | 15 | 282.431 | 5 | ↓ |
Popular Name: 1,4-benzenediamine, N'-[[4-(1,1-dimethylethyl)phenyl]methyl]-N,N-diethyl- 1,4-benzenediamine, N'-[[4-(1,1-…
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) | 5.75 | 11.7 | -3.06 | 1 | 2 | 0 | 15 | 310.485 | 7 | ↓ |
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) | 4.80 | 13.6 | -9.47 | 0 | 2 | 0 | 27 | 312.416 | 6 | ↓ |
Popular Name: 4-(aminomethyl)-N-[(4-isopropylphenyl)methyl]-N-methyl-aniline 4-(aminomethyl)-N-[(4-isopropylp…
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 | 8.64 | -43.21 | 3 | 2 | 1 | 31 | 269.412 | 5 | ↓ |
Popular Name: 4-(aminomethyl)-N-ethyl-N-[(4-isopropylphenyl)methyl]aniline 4-(aminomethyl)-N-ethyl-N-[(4-is…
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 | 9.58 | -42.74 | 3 | 2 | 1 | 31 | 283.439 | 6 | ↓ |
Popular Name: N-benzyl-N-methyl-4-[(1S)-1-(propylamino)ethyl]aniline N-benzyl-N-methyl-4-[(1S)-1-(pro…
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) | 4.43 | 10.82 | -36.76 | 2 | 2 | 1 | 20 | 283.439 | 7 | ↓ |
Popular Name: N-benzyl-4-[(1S)-1-(ethylamino)ethyl]-N-methyl-aniline N-benzyl-4-[(1S)-1-(ethylamino)e…
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) | 3.93 | 10.06 | -36 | 2 | 2 | 1 | 20 | 269.412 | 6 | ↓ |
Popular Name: N-benzyl-4-[(1R)-1-(ethylamino)ethyl]-N-methyl-aniline N-benzyl-4-[(1R)-1-(ethylamino)e…
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) | 3.93 | 10.05 | -35.85 | 2 | 2 | 1 | 20 | 269.412 | 6 | ↓ |
Popular Name: N-benzyl-N-methyl-4-[(1S)-1-(methylamino)ethyl]aniline N-benzyl-N-methyl-4-[(1S)-1-(met…
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) | 3.56 | 9.2 | -37.33 | 2 | 2 | 1 | 20 | 255.385 | 5 | ↓ |
Popular Name: N-benzyl-N-methyl-4-[(1R)-1-(methylamino)ethyl]aniline N-benzyl-N-methyl-4-[(1R)-1-(met…
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) | 3.56 | 9.2 | -37.15 | 2 | 2 | 1 | 20 | 255.385 | 5 | ↓ |
Popular Name: N-isopropyl-N-methyl-4-[(1R)-1-(methylamino)ethyl]aniline N-isopropyl-N-methyl-4-[(1R)-1-(…
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) | 2.83 | 6.87 | -36.01 | 2 | 2 | 1 | 20 | 207.341 | 4 | ↓ |
Popular Name: N-isopropyl-N-methyl-4-[(1S)-1-(methylamino)ethyl]aniline N-isopropyl-N-methyl-4-[(1S)-1-(…
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) | 2.83 | 6.86 | -35.9 | 2 | 2 | 1 | 20 | 207.341 | 4 | ↓ |
Popular Name: N-ethyl-4-[(1R)-1-(methylamino)ethyl]-N-phenyl-aniline N-ethyl-4-[(1R)-1-(methylamino)e…
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 | 9.78 | -36.82 | 2 | 2 | 1 | 20 | 255.385 | 5 | ↓ |
Popular Name: N-ethyl-4-[(1S)-1-(methylamino)ethyl]-N-phenyl-aniline N-ethyl-4-[(1S)-1-(methylamino)e…
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 | 9.79 | -36.68 | 2 | 2 | 1 | 20 | 255.385 | 5 | ↓ |
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) | 2.16 | 5.43 | -36.58 | 2 | 2 | 1 | 20 | 179.287 | 3 | ↓ |
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) | 2.16 | 5.43 | -36.59 | 2 | 2 | 1 | 20 | 179.287 | 3 | ↓ |
Popular Name: 4-[(1S)-1-(ethylamino)ethyl]-N-methyl-N-(p-tolylmethyl)aniline 4-[(1S)-1-(ethylamino)ethyl]-N-m…
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) | 4.38 | 10.73 | -36.05 | 2 | 2 | 1 | 20 | 283.439 | 6 | ↓ |
Popular Name: 4-[(1R)-1-(ethylamino)ethyl]-N-methyl-N-(p-tolylmethyl)aniline 4-[(1R)-1-(ethylamino)ethyl]-N-m…
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) | 4.38 | 10.72 | -35.87 | 2 | 2 | 1 | 20 | 283.439 | 6 | ↓ |
Popular Name: N-methyl-4-[(1R)-1-(methylamino)ethyl]-N-(p-tolylmethyl)aniline N-methyl-4-[(1R)-1-(methylamino)…
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) | 4.01 | 9.88 | -37.43 | 2 | 2 | 1 | 20 | 269.412 | 5 | ↓ |
Popular Name: N-methyl-4-[(1S)-1-(methylamino)ethyl]-N-(p-tolylmethyl)aniline N-methyl-4-[(1S)-1-(methylamino)…
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) | 4.01 | 9.88 | -37.18 | 2 | 2 | 1 | 20 | 269.412 | 5 | ↓ |
Popular Name: N-benzyl-N-ethyl-4-[(1S)-1-(ethylamino)ethyl]aniline N-benzyl-N-ethyl-4-[(1S)-1-(ethy…
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) | 4.31 | 10.99 | -35.62 | 2 | 2 | 1 | 20 | 283.439 | 7 | ↓ |
Popular Name: N-benzyl-N-ethyl-4-[(1R)-1-(ethylamino)ethyl]aniline N-benzyl-N-ethyl-4-[(1R)-1-(ethy…
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) | 4.31 | 10.98 | -35.43 | 2 | 2 | 1 | 20 | 283.439 | 7 | ↓ |
Popular Name: N-benzyl-N-ethyl-4-[(1R)-1-(methylamino)ethyl]aniline N-benzyl-N-ethyl-4-[(1R)-1-(meth…
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) | 3.93 | 10.14 | -37 | 2 | 2 | 1 | 20 | 269.412 | 6 | ↓ |
Popular Name: N-benzyl-N-ethyl-4-[(1S)-1-(methylamino)ethyl]aniline N-benzyl-N-ethyl-4-[(1S)-1-(meth…
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) | 3.93 | 10.14 | -36.76 | 2 | 2 | 1 | 20 | 269.412 | 6 | ↓ |
Popular Name: N-methyl-4-[(1R)-1-(methylamino)ethyl]-N-propyl-aniline N-methyl-4-[(1R)-1-(methylamino)…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.04 | 7.15 | -36.05 | 2 | 2 | 1 | 20 | 207.341 | 5 | ↓ |
Popular Name: N-methyl-4-[(1S)-1-(methylamino)ethyl]-N-propyl-aniline N-methyl-4-[(1S)-1-(methylamino)…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.04 | 7.14 | -36.01 | 2 | 2 | 1 | 20 | 207.341 | 5 | ↓ |
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) | 3.75 | 9.42 | -6.5 | 0 | 2 | 0 | 27 | 236.318 | 3 | ↓ |
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) | 4.55 | 9.84 | -3.37 | 1 | 2 | 0 | 15 | 268.404 | 6 | ↓ |
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) | 0.28 | 4.61 | -41.35 | 3 | 2 | 1 | 31 | 179.287 | 3 | ↓ |
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) | 0.28 | 4.61 | -41.34 | 3 | 2 | 1 | 31 | 179.287 | 3 | ↓ |
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) | 4.21 | 0.26 | -3.52 | 1 | 2 | 0 | 15 | 254.377 | 5 | ↓ |
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) | 4.96 | 0.75 | -3.01 | 1 | 2 | 0 | 15 | 282.431 | 7 | ↓ |