In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 17 | No |
Popular Name: 2-[[(2S)-tetrahydropyran-2-yl]methylamino]pyridine-3-carbothioamide 2-[[(2S)-tetrahydropyran-2-yl]me…
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) | 1.53 | 3.84 | -13.01 | 3 | 4 | 0 | 60 | 251.355 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.53 | 4.2 | -43.74 | 4 | 4 | 1 | 61 | 252.363 | 4 | ↓ |