| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 26th, 2010 | 15 | Yes |
Popular Name: (2S)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-methyl-propanenitrile (2S)-3-[[(1S)-1-(4-fluorophenyl)…
| 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) | 2.75 | 6.1 | -7.53 | 1 | 2 | 0 | 36 | 206.264 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.75 | 7.05 | -56.35 | 2 | 2 | 1 | 40 | 207.272 | 4 | ↓ |
