In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 21 | Yes |
Popular Name: (3R,4R)-3-(4-ethoxy-1-piperidyl)-N-methyl-chroman-4-amine (3R,4R)-3-(4-ethoxy-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) | 1.59 | 5.35 | -37.83 | 2 | 4 | 1 | 38 | 291.415 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.59 | 3.96 | -3.56 | 1 | 4 | 0 | 34 | 290.407 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.59 | 6.16 | -35.01 | 2 | 4 | 1 | 35 | 291.415 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.59 | 7.18 | -121.84 | 3 | 4 | 2 | 40 | 292.423 | 4 | ↓ |