| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2011 | 21 | Yes |
Popular Name: (3S,4R)-3-(2-fluorophenyl)-N4,N4-dipropyl-hexane-3,4-diamine (3S,4R)-3-(2-fluorophenyl)-N4,N4…
| 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) | 5.02 | 9.47 | -30.14 | 3 | 2 | 1 | 30 | 295.466 | 9 | ↓ |
| Hi High (pH 8-9.5) | 5.02 | 7.95 | -2.03 | 2 | 2 | 0 | 29 | 294.458 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 5.02 | 9.55 | -110.64 | 4 | 2 | 2 | 32 | 296.474 | 9 | ↓ |
