In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 21 | Yes |
Popular Name: (2R)-1-(2,4-dichlorophenyl)-2-[2-dimethylaminoethyl(propyl)amino]propan-1-one (2R)-1-(2,4-dichlorophenyl)-2-[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) | 4.01 | 8.85 | -36.14 | 1 | 3 | 1 | 25 | 332.295 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.01 | 6.37 | -7.55 | 0 | 3 | 0 | 24 | 331.287 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.01 | 8.4 | -38.25 | 1 | 3 | 1 | 25 | 332.295 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.01 | 10.86 | -108.74 | 2 | 3 | 2 | 26 | 333.303 | 8 | ↓ |