In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 22 | Yes |
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) | 1.88 | 3.5 | -45.54 | 2 | 5 | 1 | 46 | 329.848 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.88 | 1.1 | -8.67 | 1 | 5 | 0 | 45 | 328.84 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.88 | 5.77 | -121.93 | 3 | 5 | 2 | 48 | 330.856 | 8 | ↓ |