In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 20 | Yes |
Popular Name: 2-[(1R)-1-[(1-isopropyl-4-piperidyl)amino]ethyl]-5-methyl-phenol 2-[(1R)-1-[(1-isopropyl-4-piperi…
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) | 3.51 | 6.39 | -34.09 | 3 | 3 | 1 | 37 | 277.432 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.51 | 5.74 | -45.08 | 2 | 3 | 0 | 43 | 276.424 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.51 | 7.22 | -104.94 | 4 | 3 | 2 | 41 | 278.44 | 4 | ↓ |