| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 21 | Yes |
Popular Name: (1S,2R)-1-(4-fluorophenyl)-N1-propyl-N1-(2,2,2-trifluoroethyl)butane-1,2-diamine (1S,2R)-1-(4-fluorophenyl)-N1-pr…
| 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) | 3.63 | 5.56 | -45.17 | 3 | 2 | 1 | 31 | 307.355 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.63 | 5.29 | -2.77 | 2 | 2 | 0 | 29 | 306.347 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.63 | 7.58 | -116.56 | 4 | 2 | 2 | 32 | 308.363 | 8 | ↓ |
