In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 6th, 2010 | 18 | Yes |
Popular Name: (1R,2R)-1-(4-chlorophenyl)-N1-isopropyl-N1-propyl-propane-1,2-diamine (1R,2R)-1-(4-chlorophenyl)-N1-is…
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) | 3.36 | 6.73 | -126.47 | 4 | 2 | 2 | 32 | 270.848 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.36 | 6.42 | -33.81 | 3 | 2 | 1 | 30 | 269.84 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.36 | 5.39 | -44.45 | 3 | 2 | 1 | 31 | 269.84 | 6 | ↓ |