In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 17 | Yes |
Popular Name: 4-[[(1-methyl-4-piperidyl)amino]methyl]benzene-1,3-diol 4-[[(1-methyl-4-piperidyl)amino]…
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) | 1.35 | 0.62 | -38.23 | 4 | 4 | 1 | 57 | 237.323 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.35 | 0.22 | -33.47 | 3 | 4 | 0 | 63 | 236.315 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.35 | 1.85 | -107.04 | 5 | 4 | 2 | 61 | 238.331 | 3 | ↓ |