In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 14th, 2009 | 27 | Yes |
Popular Name: 3-(1,3-benzodioxol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]propanamide 3-(1,3-benzodioxol-5-yl)-N-[6-(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) | 2.17 | 3.3 | -18.77 | 2 | 8 | 0 | 93 | 368.393 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.17 | 3.56 | -53.43 | 3 | 8 | 1 | 94 | 369.401 | 5 | ↓ |