| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2010 | 16 | No |
Popular Name: (2S)-3-amino-N-[(1S)-1-(dimethylaminomethyl)-2-methyl-propyl]-2-methyl-3-thioxo-propanamide (2S)-3-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) | 0.22 | 3.94 | -53.28 | 4 | 4 | 1 | 60 | 246.4 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.41 | 2.49 | -26.22 | 3 | 4 | 0 | 66 | 245.392 | 6 | ↓ |
