In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 21 | Yes |
Popular Name: (2R)-2-(3,5-dimethylphenyl)-2-[(3R)-3-propoxy-1-piperidyl]ethanamine (2R)-2-(3,5-dimethylphenyl)-2-[(…
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) | 2.81 | 8.28 | -121.68 | 4 | 3 | 2 | 41 | 292.467 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.81 | 7.93 | -33.85 | 3 | 3 | 1 | 40 | 291.459 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.81 | 6.56 | -45.26 | 3 | 3 | 1 | 40 | 291.459 | 6 | ↓ |