In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 38 | 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) | 3.52 | 6.85 | -66.92 | 2 | 8 | -1 | 119 | 520.533 | 11 | ↓ |
Lo Low (pH 4.5-6) | 3.52 | 6.08 | -23.16 | 3 | 8 | 0 | 117 | 521.541 | 11 | ↓ |