| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 13 | Yes |
Popular Name: (3S)-3-[[(2R)-3-methoxy-2-methyl-propyl]amino]pentanenitrile (3S)-3-[[(2R)-3-methoxy-2-methyl…
| 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) | 1.15 | 4.39 | -45.5 | 2 | 3 | 1 | 50 | 185.291 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 3.32 | -6.53 | 1 | 3 | 0 | 45 | 184.283 | 7 | ↓ |
