| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 17 | Yes |
Popular Name: (2S)-2-amino-N-[(1R)-1-(dimethylaminomethyl)-3-methyl-butyl]-3-methyl-butanamide (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) | 1.07 | 4.91 | -101.44 | 5 | 4 | 2 | 61 | 245.411 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.26 | 2.62 | -53.9 | 4 | 4 | 1 | 67 | 244.403 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.26 | 2.19 | -38.67 | 3 | 4 | 0 | 66 | 243.395 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.07 | 4.2 | -36.74 | 4 | 4 | 1 | 60 | 244.403 | 7 | ↓ |
