In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 26th, 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) | 3.61 | 4.32 | -11.57 | 4 | 4 | 0 | 75 | 297.141 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.61 | 5.32 | -56.45 | 3 | 4 | -1 | 78 | 296.133 | 2 | ↓ |