In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 4th, 2009 | 27 | Yes |
Popular Name: 4-[(2-ethyl-5,7-dimethyl-imidazo[5,4-b]pyridin-3-yl)methyl]-2,6-dipropyl-phenol 4-[(2-ethyl-5,7-dimethyl-imidazo…
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) | 5.92 | 12.28 | -12.5 | 1 | 4 | 0 | 51 | 365.521 | 7 | ↓ |
Lo Low (pH 4.5-6) | 5.92 | 12.69 | -32.4 | 2 | 4 | 1 | 52 | 366.529 | 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) | 5.43 | 15.4 | -43.95 | 2 | 6 | 1 | 50 | 495.695 | 5 | ↓ |
Hi High (pH 8-9.5) | 5.43 | 13.03 | -11.96 | 1 | 6 | 0 | 49 | 494.687 | 5 | ↓ |
Popular Name: [3-[(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-phenyl-methanone [3-[(2-ethyl-5,7-dimethyl-imidaz…
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) | 4.83 | 11.61 | -16.13 | 1 | 5 | 0 | 63 | 384.483 | 5 | ↓ |