In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 7th, 2008 | 32 | 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) | 2.58 | 8.07 | -19.96 | 3 | 9 | 0 | 117 | 474.612 | 11 | ↓ |
Lo Low (pH 4.5-6) | 2.58 | 8.34 | -46.76 | 4 | 9 | 1 | 118 | 475.62 | 11 | ↓ |