| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 26th, 2010 | 14 | Yes |
Popular Name: (2S)-2-methyl-3-[[(1R)-1-methylheptyl]amino]propanenitrile (2S)-2-methyl-3-[[(1R)-1-methylh…
| 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) | 3.91 | 7.8 | -48.13 | 2 | 2 | 1 | 40 | 197.346 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.91 | 6.77 | -4.5 | 1 | 2 | 0 | 36 | 196.338 | 8 | ↓ |
