In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 20 | Yes |
Popular Name: 3-[[ethyl-[(1S)-1-methylpropyl]amino]methyl]benzofuran-2-carboxylic 3-[[ethyl-[(1S)-1-methylpropyl]a…
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) | 3.39 | 9.94 | -42.22 | 1 | 4 | 0 | 58 | 275.348 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.39 | 8.17 | -53.05 | 0 | 4 | -1 | 57 | 274.34 | 6 | ↓ |