In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 25 | Yes |
Popular Name: 3-[3-[(4-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline 3-[3-[(4-ethylpiperazin-1-yl)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) | 2.34 | 9.39 | -47.5 | 3 | 5 | 1 | 51 | 336.463 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.34 | 7.08 | -11.72 | 2 | 5 | 0 | 50 | 335.455 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.34 | 8.47 | -41.43 | 3 | 5 | 1 | 51 | 336.463 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.34 | 9.81 | -79.6 | 4 | 5 | 2 | 52 | 337.471 | 4 | ↓ |