In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 16 | No |
Popular Name: 2-[(3S)-3-methyl-1-piperidyl]pyridine-3-carbothioamide 2-[(3S)-3-methyl-1-piperidyl]pyr…
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) | 2.04 | 6.67 | -14.56 | 2 | 3 | 0 | 42 | 235.356 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.04 | 7.09 | -45.66 | 3 | 3 | 1 | 43 | 236.364 | 2 | ↓ |