In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 16 | Yes |
Popular Name: 4-[(1S)-1-[[(1R)-2-methoxy-1-methyl-ethyl]amino]ethyl]benzene-1,3-diol 4-[(1S)-1-[[(1R)-2-methoxy-1-met…
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) | 1.81 | -0.06 | -36.84 | 4 | 4 | 1 | 66 | 226.296 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.81 | 0.72 | -41.06 | 3 | 4 | 0 | 69 | 225.288 | 5 | ↓ |