In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 25 | Yes |
Popular Name: 3-[6-methyl-3-[[(3S)-3-methyl-1-piperidyl]methyl]imidazo[1,2-a]pyridin-2-yl]aniline 3-[6-methyl-3-[[(3S)-3-methyl-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) | 3.62 | 10.63 | -45.12 | 3 | 4 | 1 | 48 | 335.475 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.62 | 8.29 | -11.99 | 2 | 4 | 0 | 47 | 334.467 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.62 | 11.04 | -90.76 | 4 | 4 | 2 | 49 | 336.483 | 3 | ↓ |