| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2009 | 18 | No |
Popular Name: 2-[[(1S)-1-(2-pyridyl)ethyl]amino]pyridine-3-carbothioamide 2-[[(1S)-1-(2-pyridyl)ethyl]amin…
| 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) | 1.43 | 5.02 | -13.65 | 3 | 4 | 0 | 64 | 258.35 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.43 | 5.2 | -41.52 | 4 | 4 | 1 | 65 | 259.358 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.43 | 5.55 | -99.57 | 5 | 4 | 2 | 66 | 260.366 | 4 | ↓ |
