In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 32 | Yes |
Popular Name: 1-(azepan-1-yl)-2-[4-[(2-phenylimidazo[3,2-a]pyridin-3-yl)methyl]piperazin-1-yl]ethanone 1-(azepan-1-yl)-2-[4-[(2-phenyli…
None
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) | 3.67 | 14.18 | -51.87 | 1 | 6 | 1 | 45 | 432.592 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.67 | 11.95 | -15.73 | 0 | 6 | 0 | 44 | 431.584 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.67 | 14.6 | -84.6 | 2 | 6 | 2 | 47 | 433.6 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.67 | 12.13 | -30.43 | 1 | 6 | 1 | 45 | 432.592 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.67 | 13.57 | -94.6 | 2 | 6 | 2 | 47 | 433.6 | 5 | ↓ |