In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 20 | No |
Popular Name: (3R,6S)-1-(3-carbamothioyl-6-methyl-2-pyridyl)-6-methyl-piperidine-3-carboxamide (3R,6S)-1-(3-carbamothioyl-6-met…
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) | 0.78 | 2.79 | -16.71 | 4 | 5 | 0 | 85 | 292.408 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.78 | 3.2 | -42.33 | 5 | 5 | 1 | 86 | 293.416 | 3 | ↓ |