| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2010 | 17 | No |
Popular Name: (2S)-3-amino-N-[(1R)-1-(dimethylaminomethyl)-3-methyl-butyl]-2-methyl-3-thioxo-propanamide (2S)-3-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) | 0.75 | 4.74 | -55.07 | 4 | 4 | 1 | 60 | 260.427 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.94 | 2.74 | -39.61 | 3 | 4 | 0 | 66 | 259.419 | 7 | ↓ |
