In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 19 | No |
Popular Name: 2-[[(3S)-1-ethyl-3-piperidyl]amino]-6-methyl-pyridine-3-carbothioamide 2-[[(3S)-1-ethyl-3-piperidyl]ami…
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) | 1.50 | 6.54 | -44.11 | 4 | 4 | 1 | 55 | 279.433 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.50 | 6.86 | -98.74 | 5 | 4 | 2 | 57 | 280.441 | 4 | ↓ |