In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 23rd, 2006 | 19 | No |
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) | 3.47 | 5.98 | -9.97 | 1 | 4 | 0 | 50 | 277.707 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.47 | 6.96 | -43.1 | 0 | 4 | -1 | 53 | 276.699 | 3 | ↓ |