| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 6th, 2010 | 21 | Yes |
Popular Name: (1S,2R)-1-(4-chlorophenyl)-N1-isopropyl-N1-(2,2,2-trifluoroethyl)butane-1,2-diamine (1S,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) | 3.94 | 5.94 | -48.12 | 3 | 2 | 1 | 31 | 323.81 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.94 | 5.63 | -3.03 | 2 | 2 | 0 | 29 | 322.802 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.94 | 7.27 | -120.28 | 4 | 2 | 2 | 32 | 324.818 | 7 | ↓ |
