| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 16 | Yes |
Popular Name: (2S)-2-amino-N-[(1R)-2-(diethylamino)-1-methyl-ethyl]-3-methyl-butanamide (2S)-2-amino-N-[(1R)-2-(diethyla…
| 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) | 0.52 | 4.12 | -97.68 | 5 | 4 | 2 | 61 | 231.384 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.70 | 1.8 | -51.72 | 4 | 4 | 1 | 67 | 230.376 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.70 | 1.38 | -30.32 | 3 | 4 | 0 | 66 | 229.368 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.52 | 3.27 | -38.58 | 4 | 4 | 1 | 60 | 230.376 | 7 | ↓ |
