In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 30th, 2007 | 38 | Yes |
None
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) | 4.25 | 8.33 | -16.48 | 2 | 9 | 0 | 106 | 515.566 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.25 | 9.07 | -41.81 | 1 | 9 | -1 | 109 | 514.558 | 8 | ↓ |