In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2009 | 26 | Yes |
Popular Name: [2-(dimethylamino)-3-pyridyl]-[(3R)-3-(2-methoxyphenyl)-4-methyl-piperazin-1-yl]methanone [2-(dimethylamino)-3-pyridyl]-[(…
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) | 1.54 | 7.8 | -11.25 | 0 | 6 | 0 | 49 | 354.454 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.54 | 8.94 | -47.88 | 1 | 6 | 1 | 50 | 355.462 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.54 | 9.42 | -94.38 | 2 | 6 | 2 | 51 | 356.47 | 4 | ↓ |