In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 31st, 2006 | 14 | 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) | 2.37 | -2.55 | -8.73 | 1 | 3 | 0 | 46 | 213.302 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.37 | -2.09 | -38.62 | 0 | 3 | -1 | 48 | 212.294 | 3 | ↓ |