In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 19 | Yes |
Popular Name: (1R,2R)-1-(5-chloro-2-thienyl)-1-[(3R)-3-ethoxy-1-piperidyl]propan-2-amine (1R,2R)-1-(5-chloro-2-thienyl)-1…
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) | 2.58 | 6.48 | -33.93 | 3 | 3 | 1 | 40 | 303.879 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.58 | 4.01 | -2.33 | 2 | 3 | 0 | 38 | 302.871 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.58 | 6.8 | -117.45 | 4 | 3 | 2 | 41 | 304.887 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.58 | 4.34 | -44.6 | 3 | 3 | 1 | 40 | 303.879 | 5 | ↓ |