In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | Yes |
Popular Name: (3S,4R)-3-(4-ethyl-1-piperidyl)-N-methyl-chroman-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) | 3.40 | 6.79 | -36.65 | 2 | 3 | 1 | 26 | 275.416 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.40 | 7.98 | -121.45 | 3 | 3 | 2 | 30 | 276.424 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.40 | 8.01 | -38.3 | 2 | 3 | 1 | 29 | 275.416 | 3 | ↓ |