In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2010 | 17 | Yes |
Popular Name: (3R,4R)-3-[methyl-(1-methyl-4-piperidyl)amino]heptan-4-ol (3R,4R)-3-[methyl-(1-methyl-4-pi…
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) | 2.42 | 4.41 | -32.57 | 2 | 3 | 1 | 28 | 243.415 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 4.83 | -34.2 | 2 | 3 | 1 | 28 | 243.415 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.42 | 6.81 | -100.26 | 3 | 3 | 2 | 29 | 244.423 | 6 | ↓ |