In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 19 | Yes |
Popular Name: (3R,4R)-N4-ethyl-N3-(1-ethyl-4-piperidyl)-N3-methyl-tetrahydropyran-3,4-diamine (3R,4R)-N4-ethyl-N3-(1-ethyl-4-p…
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) | 1.39 | 5.25 | -88.74 | 3 | 4 | 2 | 34 | 271.449 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.39 | 4.45 | -34.39 | 2 | 4 | 1 | 29 | 270.441 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.39 | 7.37 | -195.88 | 4 | 4 | 3 | 35 | 272.457 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.39 | 5.12 | -112.85 | 3 | 4 | 2 | 34 | 271.449 | 5 | ↓ |