In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 11th, 2008 | 24 | Yes |
Popular Name: N-[6-(4-methylpiperazin-1-yl)-3-pyridyl]-2-[(1R,2S,4S)-norbornan-2-yl]acetamide N-[6-(4-methylpiperazin-1-yl)-3-…
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) | 2.57 | 9.49 | -42.26 | 2 | 5 | 1 | 50 | 329.468 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.57 | 7.13 | -9.44 | 1 | 5 | 0 | 48 | 328.46 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.57 | 9.8 | -95 | 3 | 5 | 2 | 51 | 330.476 | 4 | ↓ |