In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 14th, 2009 | 28 | Yes |
Popular Name: 3-(2,3-dimethoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]propanamide 3-(2,3-dimethoxyphenyl)-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) | 2.10 | 3.95 | -17.89 | 2 | 8 | 0 | 93 | 384.436 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.10 | 4.21 | -51.19 | 3 | 8 | 1 | 94 | 385.444 | 7 | ↓ |