In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2010 | 20 | Yes |
Popular Name: (2R)-2-(m-tolyl)-2-[(3S)-3-propoxy-1-piperidyl]ethanamine (2R)-2-(m-tolyl)-2-[(3S)-3-propo…
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) | 2.41 | 7.62 | -118.94 | 4 | 3 | 2 | 41 | 278.44 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.41 | 7.9 | -29.39 | 3 | 3 | 1 | 40 | 277.432 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.41 | 5.75 | -42.83 | 3 | 3 | 1 | 40 | 277.432 | 6 | ↓ |