In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 18 | Yes |
Popular Name: (3S,4R)-3-(4-ethyl-1-piperidyl)-N-propyl-tetrahydropyran-4-amine (3S,4R)-3-(4-ethyl-1-piperidyl)-…
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) | 2.93 | 7.17 | -114.73 | 3 | 3 | 2 | 30 | 256.434 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.93 | 4.08 | -0.97 | 1 | 3 | 0 | 24 | 254.418 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.93 | 5.2 | -35.54 | 2 | 3 | 1 | 29 | 255.426 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.93 | 5.97 | -32.78 | 2 | 3 | 1 | 26 | 255.426 | 5 | ↓ |