In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2010 | 16 | Yes |
Popular Name: (3R,4S)-3-(1-piperidyl)-N-propyl-tetrahydropyran-4-amine (3R,4S)-3-(1-piperidyl)-N-propyl…
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) | 2.00 | 4.78 | -28.51 | 2 | 3 | 1 | 26 | 227.372 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.00 | 2.47 | -1.49 | 1 | 3 | 0 | 24 | 226.364 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.00 | 4.01 | -34.98 | 2 | 3 | 1 | 29 | 227.372 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.00 | 5.9 | -111.73 | 3 | 3 | 2 | 30 | 228.38 | 4 | ↓ |