| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 17 | Yes |
Popular Name: (2S)-2-amino-N-[(1S)-1-(dimethylaminomethyl)-3-methyl-butyl]-3-methyl-butanamide (2S)-2-amino-N-[(1S)-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 | 4.43 | -90.95 | 5 | 4 | 2 | 61 | 245.411 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.26 | 2.96 | -51.53 | 4 | 4 | 1 | 67 | 244.403 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.26 | 2.52 | -24.68 | 3 | 4 | 0 | 66 | 243.395 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.07 | 4.4 | -33.48 | 4 | 4 | 1 | 60 | 244.403 | 7 | ↓ |
