In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 20 | 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) | 5.25 | 7.49 | -15.16 | 2 | 3 | 0 | 49 | 269.344 | 3 | ↓ |
Hi High (pH 8-9.5) | 5.25 | 8.52 | -60.4 | 1 | 3 | -1 | 52 | 268.336 | 3 | ↓ |