| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 15 | Yes |
Popular Name: (2S)-2-amino-N-[(1R)-1-(dimethylaminomethyl)-3-methyl-butyl]propanamide (2S)-2-amino-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) | 0.30 | 3.54 | -98.27 | 5 | 4 | 2 | 61 | 217.357 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.48 | 1.21 | -45.3 | 4 | 4 | 1 | 67 | 216.349 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.30 | 3.2 | -37.7 | 4 | 4 | 1 | 60 | 216.349 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.48 | 0.89 | -24.95 | 3 | 4 | 0 | 66 | 215.341 | 6 | ↓ |
