In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 20 | Yes |
Popular Name: 2-[4-[[(1S)-1-(2,5-dimethylthiazol-4-yl)ethyl]amino]-1-piperidyl]acetamide 2-[4-[[(1S)-1-(2,5-dimethylthiaz…
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) | 0.31 | 1.3 | -37.39 | 4 | 5 | 1 | 76 | 297.448 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.31 | 0.39 | -11.46 | 3 | 5 | 0 | 71 | 296.44 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.31 | 3.48 | -102 | 5 | 5 | 2 | 77 | 298.456 | 5 | ↓ |