In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 22nd, 2008 | 19 | 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) | 5.01 | 6.01 | -8.89 | 1 | 3 | 0 | 46 | 469.98 | 3 | ↓ |
Hi High (pH 8-9.5) | 5.01 | 6.09 | -37.7 | 0 | 3 | -1 | 48 | 468.972 | 3 | ↓ |