In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 24 | Yes |
Popular Name: 4-[3-(cyclohexylamino)-6-methyl-imidazo[1,2-a]pyridin-2-yl]phenol 4-[3-(cyclohexylamino)-6-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 | -2.06 | -9.85 | 2 | 4 | 0 | 49 | 321.424 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.78 | -1.88 | -26.69 | 3 | 4 | 1 | 50 | 322.432 | 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) | 4.67 | 9.49 | -18.17 | 1 | 6 | 0 | 73 | 399.516 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.67 | 9.93 | -39.13 | 2 | 6 | 1 | 74 | 400.524 | 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) | 6.57 | 12.08 | -9.89 | 1 | 4 | 0 | 39 | 379.548 | 7 | ↓ |
Mid Mid (pH 6-8) | 6.57 | 12.51 | -26.41 | 2 | 4 | 1 | 40 | 380.556 | 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) | 6.97 | 13.93 | -8.85 | 1 | 3 | 0 | 29 | 361.533 | 4 | ↓ |
Mid Mid (pH 6-8) | 6.97 | 14.37 | -23.71 | 2 | 3 | 1 | 31 | 362.541 | 4 | ↓ |
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) | 6.19 | 12.32 | -10.01 | 1 | 4 | 0 | 39 | 365.521 | 6 | ↓ |
Mid Mid (pH 6-8) | 6.19 | 12.76 | -25.67 | 2 | 4 | 1 | 40 | 366.529 | 6 | ↓ |
Popular Name: [4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] [4-[3-(cyclohexylamino)imidazo[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) | 5.83 | 11.92 | -16.78 | 1 | 6 | 0 | 73 | 447.56 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.83 | 12.35 | -38.25 | 2 | 6 | 1 | 74 | 448.568 | 6 | ↓ |