| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2010 | 16 | Yes |
Popular Name: (2S)-2-cyano-N-[(1R)-1-(dimethylaminomethyl)-2-methyl-propyl]butanamide (2S)-2-cyano-N-[(1R)-1-(dimethyl…
| 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) | 1.59 | 5.85 | -46.11 | 2 | 4 | 1 | 57 | 226.344 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.78 | 4.29 | -24.36 | 1 | 4 | 0 | 64 | 225.336 | 6 | ↓ |
