In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 27th, 2010 | 20 | Yes |
Popular Name: (2R)-3-[4-(dimethylaminomethyl)-1-piperidyl]-2-phenyl-propan-1-amine (2R)-3-[4-(dimethylaminomethyl)-…
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) | 2.02 | 8.9 | -192.34 | 5 | 3 | 3 | 37 | 278.464 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.02 | 7.01 | -88.71 | 4 | 3 | 2 | 35 | 277.456 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.02 | 8.52 | -95.42 | 4 | 3 | 2 | 35 | 277.456 | 6 | ↓ |