In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2008 | 35 | Yes |
Popular Name: [(1R)-1-methyl-2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] [(1R)-1-methyl-2-oxo-2-[[(1R)-1-…
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) | 4.73 | 10.17 | -20.23 | 2 | 8 | 0 | 111 | 496.585 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.73 | 10.25 | -55.26 | 1 | 8 | -1 | 113 | 495.577 | 10 | ↓ |