In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 14th, 2009 | 33 | Yes |
Popular Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]propanamide 3-(3,5-ditert-butyl-4-hydroxy-ph…
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) | 5.33 | 7.56 | -16.62 | 3 | 7 | 0 | 95 | 452.599 | 7 | ↓ |
Mid Mid (pH 6-8) | 5.33 | 7.83 | -50.42 | 4 | 7 | 1 | 96 | 453.607 | 7 | ↓ |