| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 19 | Yes |
Popular Name: (2S)-2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]butanediamide (2S)-2-amino-N-methyl-N-[(4-meth…
| 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) | 0.58 | 1.55 | -39.97 | 5 | 5 | 1 | 91 | 282.389 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.58 | 1.22 | -11.95 | 4 | 5 | 0 | 89 | 281.381 | 6 | ↓ |
