In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 16 | 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) | 0.31 | 3.15 | -99.94 | 5 | 3 | 2 | 47 | 221.348 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.31 | 2.77 | -38.86 | 4 | 3 | 1 | 46 | 220.34 | 4 | ↓ |