In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 5th, 2011 | 20 | Yes |
Popular Name: 5-[[[(1S)-1-(4-ethylphenyl)ethyl]amino]methyl]furan-2-carboxylic 5-[[[(1S)-1-(4-ethylphenyl)ethyl…
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) | 3.44 | 9.39 | -67.2 | 2 | 4 | 0 | 70 | 273.332 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.44 | 8.26 | -48.49 | 1 | 4 | -1 | 65 | 272.324 | 6 | ↓ |