| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 16 | No |
Popular Name: (2S)-3-[ethyl(3-pyridylmethyl)amino]-2-methyl-propanethioamide (2S)-3-[ethyl(3-pyridylmethyl)am…
| 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) | 0.54 | 5.32 | -41.97 | 3 | 3 | 1 | 43 | 238.38 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.54 | 3.48 | -8.74 | 2 | 3 | 0 | 42 | 237.372 | 6 | ↓ |
