| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 21 | Yes |
Popular Name: (1S,2S)-1-(4-fluorophenyl)-N1-isobutyl-N1-(2-methoxyethyl)butane-1,2-diamine (1S,2S)-1-(4-fluorophenyl)-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) | 2.94 | 7.8 | -109.24 | 4 | 3 | 2 | 41 | 298.446 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.94 | 7.47 | -32.42 | 3 | 3 | 1 | 40 | 297.438 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.94 | 6.15 | -46.92 | 3 | 3 | 1 | 40 | 297.438 | 9 | ↓ |
