In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 18 | No |
Popular Name: 6-methyl-2-[[(3R)-1-methyl-3-piperidyl]amino]pyridine-3-carbothioamide 6-methyl-2-[[(3R)-1-methyl-3-pip…
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) | 1.12 | 5.89 | -45.57 | 4 | 4 | 1 | 55 | 265.406 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.12 | 6.21 | -99.1 | 5 | 4 | 2 | 57 | 266.414 | 3 | ↓ |