In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 21 | Yes |
Popular Name: 2,2-dimethyl-1-[4-[[(1S)-1-(2-methylthiazol-4-yl)ethyl]amino]-1-piperidyl]propan-1-one 2,2-dimethyl-1-[4-[[(1S)-1-(2-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) | 2.38 | 6.46 | -43.81 | 2 | 4 | 1 | 50 | 310.487 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.38 | 5.37 | -9.54 | 1 | 4 | 0 | 45 | 309.479 | 4 | ↓ |