In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2004 | 18 | Yes |
Popular Name: 1-(3,4-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone 1-(3,4-dichlorophenyl)-2-[(3S)-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) | 3.92 | 9.89 | -45.37 | 1 | 2 | 1 | 22 | 287.21 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.92 | 7.71 | -7.53 | 0 | 2 | 0 | 20 | 286.202 | 3 | ↓ |