In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2008 | 16 | Yes |
Popular Name: 3-methyl-N-[3-(4-methyl-1-piperidyl)propyl]butan-1-amine 3-methyl-N-[3-(4-methyl-1-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) | 2.85 | 8.92 | -105.6 | 3 | 2 | 2 | 21 | 228.424 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.85 | 6.63 | -39.37 | 2 | 2 | 1 | 20 | 227.416 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.85 | 7.51 | -32.88 | 2 | 2 | 1 | 16 | 227.416 | 7 | ↓ |