| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 21 | Yes |
Popular Name: (1S,2R)-1-(4-fluorophenyl)-N1-methyl-N1-(4-pyridylmethyl)butane-1,2-diamine (1S,2R)-1-(4-fluorophenyl)-N1-me…
| 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) | 1.94 | 7.97 | -134.82 | 4 | 3 | 2 | 45 | 289.398 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.94 | 5.04 | -51.75 | 3 | 3 | 1 | 44 | 288.39 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.94 | 7.54 | -42.04 | 3 | 3 | 1 | 43 | 288.39 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.94 | 5.5 | -94.71 | 4 | 3 | 2 | 45 | 289.398 | 6 | ↓ |
