In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 20 | Yes |
Popular Name: 2-methyl-1-[4-[[(1R)-1-(2-methylthiazol-4-yl)ethyl]amino]-1-piperidyl]propan-1-one 2-methyl-1-[4-[[(1R)-1-(2-methyl…
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) | 1.80 | 6.27 | -42.58 | 2 | 4 | 1 | 50 | 296.46 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.80 | 5.1 | -11.13 | 1 | 4 | 0 | 45 | 295.452 | 4 | ↓ |